USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN : amide:sc= -2.72! K(o=-7.7!,f=-5.6) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.03 X(o=-7.7,f=-7.5!) USER MOD Set 2.1: 1 37 THR OG1 : rot -161:sc= 1.2 USER MOD Set 2.2: 1 40 SER OG : rot 154:sc= 0.811 USER MOD Set 3.1: 1 8 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 3.2: 1 25 GLN : amide:sc= -0.0421 K(o=-0.042,f=-0.58) USER MOD Single : 1 1 SER N :NH3+ 147:sc= 0.188 (180deg=0.00284) USER MOD Single : 1 1 SER OG : rot 180:sc= 0.0872 USER MOD Single : 1 7 ASN : amide:sc= -2.83 K(o=-2.8,f=-2.1) USER MOD Single : 1 12 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.8!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : 1 30 ASN : amide:sc= -9.5! C(o=-9.5!,f=-17!) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.69 K(o=-4.7,f=-5.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.665 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -160:sc= -2.64 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= 0.0089 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 13.532 -3.007 -12.882 1.00 0.00 N ATOM 2 CA SER 1 1 14.324 -1.752 -12.801 1.00 0.00 C ATOM 3 C SER 1 1 14.755 -1.462 -11.365 1.00 0.00 C ATOM 4 O SER 1 1 14.110 -1.903 -10.414 1.00 0.00 O ATOM 5 CB SER 1 1 13.470 -0.602 -13.338 1.00 0.00 C ATOM 6 OG SER 1 1 12.805 -0.975 -14.533 1.00 0.00 O ATOM 0 H1 SER 1 1 12.819 -2.920 -13.634 1.00 0.00 H new ATOM 0 H2 SER 1 1 14.165 -3.804 -13.096 1.00 0.00 H new ATOM 0 H3 SER 1 1 13.056 -3.177 -11.973 1.00 0.00 H new ATOM 0 HA SER 1 1 15.229 -1.861 -13.399 1.00 0.00 H new ATOM 0 HB2 SER 1 1 12.737 -0.308 -12.587 1.00 0.00 H new ATOM 0 HB3 SER 1 1 14.101 0.267 -13.525 1.00 0.00 H new ATOM 0 HG SER 1 1 12.265 -0.223 -14.855 1.00 0.00 H new ATOM 14 N PRO 1 2 15.857 -0.713 -11.190 1.00 0.00 N ATOM 15 CA PRO 1 2 16.373 -0.365 -9.862 1.00 0.00 C ATOM 16 C PRO 1 2 15.492 0.656 -9.146 1.00 0.00 C ATOM 17 O PRO 1 2 14.483 1.107 -9.689 1.00 0.00 O ATOM 18 CB PRO 1 2 17.748 0.232 -10.163 1.00 0.00 C ATOM 19 CG PRO 1 2 17.630 0.772 -11.546 1.00 0.00 C ATOM 20 CD PRO 1 2 16.686 -0.147 -12.272 1.00 0.00 C ATOM 0 HA PRO 1 2 16.404 -1.228 -9.197 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 18.003 1.017 -9.452 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 18.531 -0.524 -10.098 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 17.249 1.793 -11.535 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 18.602 0.800 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 16.081 0.393 -13.001 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 17.222 -0.925 -12.816 1.00 0.00 H new ATOM 28 N PRO 1 3 15.866 1.039 -7.912 1.00 0.00 N ATOM 29 CA PRO 1 3 15.119 2.009 -7.117 1.00 0.00 C ATOM 30 C PRO 1 3 15.397 3.438 -7.565 1.00 0.00 C ATOM 31 O PRO 1 3 16.373 4.053 -7.136 1.00 0.00 O ATOM 32 CB PRO 1 3 15.633 1.784 -5.683 1.00 0.00 C ATOM 33 CG PRO 1 3 16.588 0.633 -5.762 1.00 0.00 C ATOM 34 CD PRO 1 3 17.044 0.566 -7.189 1.00 0.00 C ATOM 0 HA PRO 1 3 14.042 1.875 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.129 2.677 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.810 1.562 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.433 0.781 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.103 -0.297 -5.464 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.913 1.199 -7.369 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 17.321 -0.447 -7.481 1.00 0.00 H new ATOM 42 N VAL 1 4 14.539 3.962 -8.436 1.00 0.00 N ATOM 43 CA VAL 1 4 14.706 5.318 -8.942 1.00 0.00 C ATOM 44 C VAL 1 4 13.508 6.194 -8.604 1.00 0.00 C ATOM 45 O VAL 1 4 12.409 5.986 -9.116 1.00 0.00 O ATOM 46 CB VAL 1 4 14.920 5.324 -10.469 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.404 5.301 -10.798 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.206 4.147 -11.116 1.00 0.00 C ATOM 0 H VAL 1 4 13.725 3.470 -8.804 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.591 5.726 -8.454 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.494 6.242 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.537 5.306 -11.880 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.885 6.180 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.855 4.401 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.370 4.170 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.598 3.215 -10.709 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.138 4.212 -10.910 1.00 0.00 H new ATOM 58 N CYS 1 5 13.736 7.190 -7.754 1.00 0.00 N ATOM 59 CA CYS 1 5 12.681 8.115 -7.367 1.00 0.00 C ATOM 60 C CYS 1 5 12.520 9.160 -8.461 1.00 0.00 C ATOM 61 O CYS 1 5 13.372 10.032 -8.633 1.00 0.00 O ATOM 62 CB CYS 1 5 13.022 8.783 -6.030 1.00 0.00 C ATOM 63 SG CYS 1 5 11.911 10.150 -5.561 1.00 0.00 S ATOM 0 H CYS 1 5 14.641 7.376 -7.322 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.744 7.573 -7.241 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.999 8.027 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.043 9.162 -6.078 1.00 0.00 H new ATOM 68 N GLY 1 6 11.445 9.039 -9.227 1.00 0.00 N ATOM 69 CA GLY 1 6 11.217 9.948 -10.328 1.00 0.00 C ATOM 70 C GLY 1 6 11.396 9.236 -11.653 1.00 0.00 C ATOM 71 O GLY 1 6 11.778 9.840 -12.655 1.00 0.00 O ATOM 0 H GLY 1 6 10.726 8.326 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.210 10.360 -10.264 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.910 10.787 -10.263 1.00 0.00 H new ATOM 75 N ASN 1 7 11.121 7.935 -11.639 1.00 0.00 N ATOM 76 CA ASN 1 7 11.244 7.094 -12.818 1.00 0.00 C ATOM 77 C ASN 1 7 9.943 6.341 -13.063 1.00 0.00 C ATOM 78 O ASN 1 7 9.845 5.523 -13.978 1.00 0.00 O ATOM 79 CB ASN 1 7 12.390 6.097 -12.626 1.00 0.00 C ATOM 80 CG ASN 1 7 13.701 6.606 -13.194 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.282 5.994 -14.090 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.174 7.732 -12.672 1.00 0.00 N ATOM 0 H ASN 1 7 10.806 7.436 -10.807 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.456 7.725 -13.681 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.514 5.890 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.131 5.153 -13.106 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.052 8.123 -13.013 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.659 8.206 -11.930 1.00 0.00 H new ATOM 89 N LYS 1 8 8.947 6.623 -12.226 1.00 0.00 N ATOM 90 CA LYS 1 8 7.646 5.983 -12.320 1.00 0.00 C ATOM 91 C LYS 1 8 7.687 4.572 -11.742 1.00 0.00 C ATOM 92 O LYS 1 8 6.803 3.758 -12.011 1.00 0.00 O ATOM 93 CB LYS 1 8 7.157 5.946 -13.772 1.00 0.00 C ATOM 94 CG LYS 1 8 5.648 6.062 -13.909 1.00 0.00 C ATOM 95 CD LYS 1 8 5.160 5.461 -15.217 1.00 0.00 C ATOM 96 CE LYS 1 8 4.718 4.018 -15.036 1.00 0.00 C ATOM 97 NZ LYS 1 8 3.553 3.681 -15.901 1.00 0.00 N ATOM 0 H LYS 1 8 9.023 7.300 -11.467 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.944 6.575 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.627 6.759 -14.326 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.485 5.014 -14.233 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.166 5.556 -13.073 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.356 7.111 -13.858 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 4.329 6.052 -15.602 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.956 5.508 -15.960 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.548 3.352 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 4.456 3.847 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.357 2.662 -15.838 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 2.719 4.214 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 3.769 3.931 -16.887 1.00 0.00 H new ATOM 111 N ILE 1 9 8.713 4.285 -10.941 1.00 0.00 N ATOM 112 CA ILE 1 9 8.851 2.973 -10.326 1.00 0.00 C ATOM 113 C ILE 1 9 8.874 3.090 -8.811 1.00 0.00 C ATOM 114 O ILE 1 9 9.810 3.649 -8.238 1.00 0.00 O ATOM 115 CB ILE 1 9 10.138 2.242 -10.780 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.904 3.067 -11.817 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.799 0.866 -11.333 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.168 2.395 -12.305 1.00 0.00 C ATOM 0 H ILE 1 9 9.456 4.943 -10.706 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.988 2.391 -10.649 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.782 2.118 -9.910 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.252 3.261 -12.669 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.159 4.034 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.714 0.365 -11.648 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.309 0.274 -10.560 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.131 0.972 -12.188 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.661 3.035 -13.037 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.838 2.225 -11.462 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.917 1.440 -12.767 1.00 0.00 H new ATOM 130 N LEU 1 10 7.854 2.547 -8.163 1.00 0.00 N ATOM 131 CA LEU 1 10 7.780 2.578 -6.709 1.00 0.00 C ATOM 132 C LEU 1 10 8.815 1.622 -6.134 1.00 0.00 C ATOM 133 O LEU 1 10 8.474 0.623 -5.500 1.00 0.00 O ATOM 134 CB LEU 1 10 6.378 2.192 -6.223 1.00 0.00 C ATOM 135 CG LEU 1 10 5.236 2.528 -7.185 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.924 1.337 -8.077 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.998 2.956 -6.412 1.00 0.00 C ATOM 0 H LEU 1 10 7.069 2.081 -8.618 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.986 3.592 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.362 1.120 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.190 2.693 -5.273 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.550 3.358 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.110 1.593 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.809 1.075 -8.656 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.629 0.488 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.196 3.191 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.681 2.146 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.229 3.838 -5.815 1.00 0.00 H new ATOM 149 N GLU 1 11 10.086 1.928 -6.375 1.00 0.00 N ATOM 150 CA GLU 1 11 11.172 1.088 -5.899 1.00 0.00 C ATOM 151 C GLU 1 11 12.131 1.877 -5.018 1.00 0.00 C ATOM 152 O GLU 1 11 12.566 1.389 -3.975 1.00 0.00 O ATOM 153 CB GLU 1 11 11.919 0.473 -7.083 1.00 0.00 C ATOM 154 CG GLU 1 11 12.983 -0.529 -6.673 1.00 0.00 C ATOM 155 CD GLU 1 11 13.392 -1.444 -7.810 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.496 -1.940 -8.525 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.609 -1.667 -7.985 1.00 0.00 O ATOM 0 H GLU 1 11 10.386 2.751 -6.897 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.744 0.288 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.201 -0.019 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.386 1.270 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.860 0.006 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.610 -1.130 -5.844 1.00 0.00 H new ATOM 164 N GLN 1 12 12.458 3.096 -5.437 1.00 0.00 N ATOM 165 CA GLN 1 12 13.368 3.942 -4.669 1.00 0.00 C ATOM 166 C GLN 1 12 12.737 4.392 -3.347 1.00 0.00 C ATOM 167 O GLN 1 12 12.533 5.585 -3.121 1.00 0.00 O ATOM 168 CB GLN 1 12 13.776 5.160 -5.497 1.00 0.00 C ATOM 169 CG GLN 1 12 15.154 5.698 -5.151 1.00 0.00 C ATOM 170 CD GLN 1 12 15.126 6.673 -3.990 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.903 6.285 -2.843 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.353 7.948 -4.283 1.00 0.00 N ATOM 0 H GLN 1 12 12.110 3.518 -6.298 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.254 3.352 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.754 4.894 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.040 5.951 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.814 4.866 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.577 6.193 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.534 8.225 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.347 8.650 -3.543 1.00 0.00 H new ATOM 181 N GLY 1 13 12.445 3.423 -2.473 1.00 0.00 N ATOM 182 CA GLY 1 13 11.853 3.713 -1.170 1.00 0.00 C ATOM 183 C GLY 1 13 10.878 4.878 -1.187 1.00 0.00 C ATOM 184 O GLY 1 13 10.811 5.651 -0.231 1.00 0.00 O ATOM 0 H GLY 1 13 12.610 2.432 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.336 2.824 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.650 3.928 -0.459 1.00 0.00 H new ATOM 188 N GLU 1 14 10.127 5.006 -2.273 1.00 0.00 N ATOM 189 CA GLU 1 14 9.158 6.089 -2.406 1.00 0.00 C ATOM 190 C GLU 1 14 7.747 5.629 -2.036 1.00 0.00 C ATOM 191 O GLU 1 14 7.023 6.324 -1.323 1.00 0.00 O ATOM 192 CB GLU 1 14 9.187 6.664 -3.830 1.00 0.00 C ATOM 193 CG GLU 1 14 8.862 5.661 -4.928 1.00 0.00 C ATOM 194 CD GLU 1 14 10.020 4.736 -5.241 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.163 3.714 -4.539 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.783 5.033 -6.183 1.00 0.00 O ATOM 0 H GLU 1 14 10.169 4.375 -3.074 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.440 6.876 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.477 7.489 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 10.176 7.081 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 7.999 5.066 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.578 6.199 -5.833 1.00 0.00 H new ATOM 203 N ASP 1 15 7.360 4.457 -2.527 1.00 0.00 N ATOM 204 CA ASP 1 15 6.033 3.904 -2.258 1.00 0.00 C ATOM 205 C ASP 1 15 4.955 4.676 -3.017 1.00 0.00 C ATOM 206 O ASP 1 15 3.764 4.490 -2.776 1.00 0.00 O ATOM 207 CB ASP 1 15 5.730 3.931 -0.756 1.00 0.00 C ATOM 208 CG ASP 1 15 6.900 3.452 0.081 1.00 0.00 C ATOM 209 OD1 ASP 1 15 7.702 2.641 -0.429 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.015 3.888 1.245 1.00 0.00 O ATOM 0 H ASP 1 15 7.948 3.867 -3.116 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.028 2.870 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.467 4.947 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.861 3.305 -0.553 1.00 0.00 H new ATOM 215 N CYS 1 16 5.388 5.536 -3.937 1.00 0.00 N ATOM 216 CA CYS 1 16 4.483 6.345 -4.745 1.00 0.00 C ATOM 217 C CYS 1 16 5.285 7.143 -5.765 1.00 0.00 C ATOM 218 O CYS 1 16 5.261 8.374 -5.779 1.00 0.00 O ATOM 219 CB CYS 1 16 3.662 7.274 -3.858 1.00 0.00 C ATOM 220 SG CYS 1 16 2.029 6.611 -3.395 1.00 0.00 S ATOM 0 H CYS 1 16 6.375 5.690 -4.142 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.792 5.688 -5.274 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.227 7.485 -2.950 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.523 8.224 -4.375 1.00 0.00 H new ATOM 225 N ASP 1 17 6.015 6.415 -6.602 1.00 0.00 N ATOM 226 CA ASP 1 17 6.862 7.016 -7.625 1.00 0.00 C ATOM 227 C ASP 1 17 6.049 7.645 -8.750 1.00 0.00 C ATOM 228 O ASP 1 17 4.873 7.337 -8.939 1.00 0.00 O ATOM 229 CB ASP 1 17 7.807 5.965 -8.208 1.00 0.00 C ATOM 230 CG ASP 1 17 9.079 6.576 -8.756 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.996 7.334 -9.745 1.00 0.00 O ATOM 232 OD2 ASP 1 17 10.159 6.299 -8.197 1.00 0.00 O ATOM 0 H ASP 1 17 6.037 5.395 -6.591 1.00 0.00 H new ATOM 0 HA ASP 1 17 7.435 7.808 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.059 5.238 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.296 5.421 -9.003 1.00 0.00 H new ATOM 237 N CYS 1 18 6.707 8.523 -9.499 1.00 0.00 N ATOM 238 CA CYS 1 18 6.088 9.207 -10.625 1.00 0.00 C ATOM 239 C CYS 1 18 7.168 9.777 -11.542 1.00 0.00 C ATOM 240 O CYS 1 18 8.062 10.492 -11.091 1.00 0.00 O ATOM 241 CB CYS 1 18 5.168 10.328 -10.130 1.00 0.00 C ATOM 242 SG CYS 1 18 3.391 9.998 -10.347 1.00 0.00 S ATOM 0 H CYS 1 18 7.682 8.779 -9.342 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.487 8.490 -11.185 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.366 10.502 -9.072 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.421 11.248 -10.657 1.00 0.00 H new ATOM 247 N GLY 1 19 7.086 9.448 -12.828 1.00 0.00 N ATOM 248 CA GLY 1 19 8.067 9.928 -13.792 1.00 0.00 C ATOM 249 C GLY 1 19 8.456 11.379 -13.570 1.00 0.00 C ATOM 250 O GLY 1 19 9.606 11.678 -13.247 1.00 0.00 O ATOM 0 H GLY 1 19 6.356 8.855 -13.223 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.960 9.305 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.664 9.815 -14.799 1.00 0.00 H new ATOM 254 N SER 1 20 7.494 12.279 -13.735 1.00 0.00 N ATOM 255 CA SER 1 20 7.738 13.704 -13.544 1.00 0.00 C ATOM 256 C SER 1 20 6.571 14.352 -12.803 1.00 0.00 C ATOM 257 O SER 1 20 5.414 14.021 -13.051 1.00 0.00 O ATOM 258 CB SER 1 20 7.949 14.393 -14.893 1.00 0.00 C ATOM 259 OG SER 1 20 9.322 14.422 -15.243 1.00 0.00 O ATOM 0 H SER 1 20 6.537 12.047 -14.001 1.00 0.00 H new ATOM 0 HA SER 1 20 8.641 13.820 -12.944 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.385 13.869 -15.665 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.560 15.410 -14.850 1.00 0.00 H new ATOM 0 HG SER 1 20 9.429 14.866 -16.110 1.00 0.00 H new ATOM 265 N PRO 1 21 6.856 15.288 -11.881 1.00 0.00 N ATOM 266 CA PRO 1 21 5.812 15.974 -11.112 1.00 0.00 C ATOM 267 C PRO 1 21 4.707 16.527 -12.005 1.00 0.00 C ATOM 268 O PRO 1 21 3.551 16.621 -11.594 1.00 0.00 O ATOM 269 CB PRO 1 21 6.569 17.112 -10.426 1.00 0.00 C ATOM 270 CG PRO 1 21 7.969 16.616 -10.308 1.00 0.00 C ATOM 271 CD PRO 1 21 8.208 15.751 -11.516 1.00 0.00 C ATOM 0 HA PRO 1 21 5.306 15.303 -10.418 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.522 18.029 -11.013 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.145 17.337 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.675 17.446 -10.277 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.105 16.047 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.672 16.313 -12.326 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.870 14.916 -11.287 1.00 0.00 H new ATOM 279 N ALA 1 22 5.071 16.887 -13.232 1.00 0.00 N ATOM 280 CA ALA 1 22 4.112 17.425 -14.188 1.00 0.00 C ATOM 281 C ALA 1 22 3.415 16.304 -14.951 1.00 0.00 C ATOM 282 O ALA 1 22 2.264 16.441 -15.363 1.00 0.00 O ATOM 283 CB ALA 1 22 4.805 18.373 -15.154 1.00 0.00 C ATOM 0 H ALA 1 22 6.025 16.815 -13.587 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.354 17.980 -13.635 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.076 18.767 -15.862 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.252 19.197 -14.598 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.584 17.836 -15.696 1.00 0.00 H new ATOM 289 N ASN 1 23 4.122 15.192 -15.132 1.00 0.00 N ATOM 290 CA ASN 1 23 3.574 14.042 -15.842 1.00 0.00 C ATOM 291 C ASN 1 23 3.257 12.907 -14.873 1.00 0.00 C ATOM 292 O ASN 1 23 3.180 11.743 -15.267 1.00 0.00 O ATOM 293 CB ASN 1 23 4.556 13.559 -16.910 1.00 0.00 C ATOM 294 CG ASN 1 23 4.359 14.262 -18.238 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.391 15.490 -18.314 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.152 13.484 -19.295 1.00 0.00 N ATOM 0 H ASN 1 23 5.077 15.064 -14.796 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.648 14.352 -16.326 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.576 13.724 -16.563 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.437 12.485 -17.050 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.012 13.901 -20.215 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.133 12.470 -19.186 1.00 0.00 H new ATOM 303 N CYS 1 24 3.078 13.254 -13.602 1.00 0.00 N ATOM 304 CA CYS 1 24 2.774 12.273 -12.575 1.00 0.00 C ATOM 305 C CYS 1 24 1.353 11.757 -12.729 1.00 0.00 C ATOM 306 O CYS 1 24 0.415 12.296 -12.140 1.00 0.00 O ATOM 307 CB CYS 1 24 2.960 12.881 -11.185 1.00 0.00 C ATOM 308 SG CYS 1 24 2.521 11.755 -9.820 1.00 0.00 S ATOM 0 H CYS 1 24 3.139 14.213 -13.261 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.463 11.436 -12.690 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.000 13.188 -11.070 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.352 13.782 -11.109 1.00 0.00 H new ATOM 313 N GLN 1 25 1.203 10.711 -13.523 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.104 10.108 -13.763 1.00 0.00 C ATOM 315 C GLN 1 25 -0.557 9.270 -12.566 1.00 0.00 C ATOM 316 O GLN 1 25 -1.017 8.139 -12.728 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.063 9.241 -15.023 1.00 0.00 C ATOM 318 CG GLN 1 25 0.829 8.017 -14.892 1.00 0.00 C ATOM 319 CD GLN 1 25 1.205 7.423 -16.235 1.00 0.00 C ATOM 320 OE1 GLN 1 25 1.517 8.146 -17.181 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.177 6.099 -16.325 1.00 0.00 N ATOM 0 H GLN 1 25 1.972 10.257 -14.016 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.824 10.914 -13.905 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.076 8.918 -15.264 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.286 9.847 -15.859 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.736 8.289 -14.353 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.318 7.262 -14.295 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.912 5.538 -15.515 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 1.420 5.642 -17.204 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.432 9.832 -11.366 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.834 9.141 -10.149 1.00 0.00 C ATOM 332 C ASP 1 26 -1.316 10.145 -9.107 1.00 0.00 C ATOM 333 O ASP 1 26 -0.519 10.871 -8.513 1.00 0.00 O ATOM 334 CB ASP 1 26 0.330 8.317 -9.594 1.00 0.00 C ATOM 335 CG ASP 1 26 0.019 6.833 -9.550 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.150 6.479 -9.289 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.945 6.026 -9.774 1.00 0.00 O ATOM 0 H ASP 1 26 -0.054 10.767 -11.213 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.654 8.464 -10.388 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.214 8.482 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.571 8.665 -8.590 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.626 10.191 -8.901 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.217 11.118 -7.943 1.00 0.00 C ATOM 344 C ARG 1 27 -2.895 10.718 -6.506 1.00 0.00 C ATOM 345 O ARG 1 27 -2.592 11.570 -5.670 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.731 11.180 -8.143 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.429 12.159 -7.214 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.661 13.501 -7.890 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.830 14.191 -7.352 1.00 0.00 N ATOM 350 CZ ARG 1 27 -6.846 14.815 -6.176 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -5.760 14.839 -5.414 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -7.952 15.418 -5.762 1.00 0.00 N ATOM 0 H ARG 1 27 -3.300 9.597 -9.384 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.787 12.104 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -4.941 11.459 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.150 10.185 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.384 11.741 -6.895 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -4.828 12.302 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -4.779 14.129 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -5.791 13.349 -8.962 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.684 14.195 -7.910 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -4.906 14.378 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -5.779 15.319 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -8.789 15.403 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.965 15.896 -4.861 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.965 9.422 -6.220 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.681 8.922 -4.878 1.00 0.00 C ATOM 368 C CYS 1 28 -1.179 8.722 -4.659 1.00 0.00 C ATOM 369 O CYS 1 28 -0.754 8.279 -3.592 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.430 7.610 -4.634 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.202 7.828 -4.266 1.00 0.00 S ATOM 0 H CYS 1 28 -3.215 8.700 -6.896 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.025 9.670 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.327 6.975 -5.514 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.959 7.083 -3.804 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.380 9.056 -5.671 1.00 0.00 N ATOM 377 CA CYS 1 29 1.071 8.918 -5.584 1.00 0.00 C ATOM 378 C CYS 1 29 1.758 10.076 -6.296 1.00 0.00 C ATOM 379 O CYS 1 29 1.622 10.230 -7.509 1.00 0.00 O ATOM 380 CB CYS 1 29 1.516 7.594 -6.207 1.00 0.00 C ATOM 381 SG CYS 1 29 1.181 6.136 -5.172 1.00 0.00 S ATOM 0 H CYS 1 29 -0.714 9.424 -6.561 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.355 8.930 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.013 7.469 -7.166 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.585 7.643 -6.412 1.00 0.00 H new ATOM 386 N ASN 1 30 2.497 10.892 -5.550 1.00 0.00 N ATOM 387 CA ASN 1 30 3.187 12.029 -6.157 1.00 0.00 C ATOM 388 C ASN 1 30 4.702 11.852 -6.120 1.00 0.00 C ATOM 389 O ASN 1 30 5.269 11.419 -5.113 1.00 0.00 O ATOM 390 CB ASN 1 30 2.779 13.341 -5.480 1.00 0.00 C ATOM 391 CG ASN 1 30 3.147 13.395 -4.014 1.00 0.00 C ATOM 392 OD1 ASN 1 30 2.848 12.478 -3.252 1.00 0.00 O ATOM 393 ND2 ASN 1 30 3.797 14.480 -3.612 1.00 0.00 N ATOM 0 H ASN 1 30 2.633 10.792 -4.544 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.885 12.073 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 3.255 14.173 -5.998 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 1.702 13.476 -5.583 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.070 14.578 -2.634 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.024 15.216 -4.281 1.00 0.00 H new ATOM 400 N ALA 1 31 5.347 12.185 -7.238 1.00 0.00 N ATOM 401 CA ALA 1 31 6.796 12.064 -7.364 1.00 0.00 C ATOM 402 C ALA 1 31 7.514 13.172 -6.606 1.00 0.00 C ATOM 403 O ALA 1 31 8.578 12.950 -6.027 1.00 0.00 O ATOM 404 CB ALA 1 31 7.199 12.083 -8.830 1.00 0.00 C ATOM 0 H ALA 1 31 4.884 12.543 -8.073 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.092 11.112 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.282 11.992 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.725 11.249 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.879 13.021 -9.283 1.00 0.00 H new ATOM 410 N ALA 1 32 6.926 14.366 -6.603 1.00 0.00 N ATOM 411 CA ALA 1 32 7.514 15.505 -5.902 1.00 0.00 C ATOM 412 C ALA 1 32 7.922 15.114 -4.484 1.00 0.00 C ATOM 413 O ALA 1 32 8.818 15.717 -3.893 1.00 0.00 O ATOM 414 CB ALA 1 32 6.536 16.669 -5.871 1.00 0.00 C ATOM 0 H ALA 1 32 6.046 14.570 -7.076 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.409 15.816 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.988 17.510 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.292 16.967 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.625 16.366 -5.354 1.00 0.00 H new ATOM 420 N THR 1 33 7.259 14.092 -3.953 1.00 0.00 N ATOM 421 CA THR 1 33 7.541 13.597 -2.615 1.00 0.00 C ATOM 422 C THR 1 33 8.011 12.152 -2.672 1.00 0.00 C ATOM 423 O THR 1 33 8.706 11.675 -1.775 1.00 0.00 O ATOM 424 CB THR 1 33 6.280 13.671 -1.751 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.613 13.622 -0.375 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.294 12.544 -2.028 1.00 0.00 C ATOM 0 H THR 1 33 6.516 13.588 -4.436 1.00 0.00 H new ATOM 0 HA THR 1 33 8.325 14.218 -2.181 1.00 0.00 H new ATOM 0 HB THR 1 33 5.806 14.618 -2.010 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.795 13.672 0.162 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.423 12.656 -1.382 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.980 12.583 -3.071 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.772 11.585 -1.829 1.00 0.00 H new ATOM 434 N CYS 1 34 7.580 11.447 -3.711 1.00 0.00 N ATOM 435 CA CYS 1 34 7.905 10.045 -3.860 1.00 0.00 C ATOM 436 C CYS 1 34 7.232 9.281 -2.733 1.00 0.00 C ATOM 437 O CYS 1 34 7.837 8.439 -2.073 1.00 0.00 O ATOM 438 CB CYS 1 34 9.420 9.823 -3.854 1.00 0.00 C ATOM 439 SG CYS 1 34 10.084 9.273 -5.460 1.00 0.00 S ATOM 0 H CYS 1 34 7.004 11.829 -4.461 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.541 9.682 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.913 10.751 -3.565 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.667 9.081 -3.095 1.00 0.00 H new ATOM 444 N LYS 1 35 5.964 9.617 -2.516 1.00 0.00 N ATOM 445 CA LYS 1 35 5.164 9.004 -1.467 1.00 0.00 C ATOM 446 C LYS 1 35 3.684 9.345 -1.668 1.00 0.00 C ATOM 447 O LYS 1 35 3.343 10.235 -2.447 1.00 0.00 O ATOM 448 CB LYS 1 35 5.659 9.463 -0.083 1.00 0.00 C ATOM 449 CG LYS 1 35 4.860 10.602 0.544 1.00 0.00 C ATOM 450 CD LYS 1 35 3.874 10.087 1.580 1.00 0.00 C ATOM 451 CE LYS 1 35 3.475 11.179 2.560 1.00 0.00 C ATOM 452 NZ LYS 1 35 2.282 10.795 3.364 1.00 0.00 N ATOM 0 H LYS 1 35 5.466 10.320 -3.062 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.273 7.921 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.639 8.609 0.595 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.700 9.775 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.542 11.312 1.011 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.322 11.142 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 2.985 9.704 1.079 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 4.318 9.253 2.124 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.310 11.390 3.228 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.264 12.098 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 2.042 11.566 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 1.478 10.618 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 2.492 9.932 3.906 1.00 0.00 H new ATOM 466 N LEU 1 36 2.816 8.626 -0.970 1.00 0.00 N ATOM 467 CA LEU 1 36 1.374 8.839 -1.068 1.00 0.00 C ATOM 468 C LEU 1 36 1.008 10.311 -0.900 1.00 0.00 C ATOM 469 O LEU 1 36 1.442 10.968 0.046 1.00 0.00 O ATOM 470 CB LEU 1 36 0.649 7.997 -0.017 1.00 0.00 C ATOM 471 CG LEU 1 36 0.681 6.488 -0.261 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.661 5.733 1.059 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.488 6.064 -1.137 1.00 0.00 C ATOM 0 H LEU 1 36 3.086 7.884 -0.324 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.059 8.530 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.091 8.201 0.958 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.391 8.320 0.031 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.607 6.244 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.684 4.661 0.865 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.532 6.014 1.652 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.247 5.983 1.607 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.449 4.987 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.425 6.322 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.429 6.578 -2.096 1.00 0.00 H new ATOM 485 N THR 1 37 0.200 10.817 -1.828 1.00 0.00 N ATOM 486 CA THR 1 37 -0.238 12.208 -1.791 1.00 0.00 C ATOM 487 C THR 1 37 -1.250 12.420 -0.668 1.00 0.00 C ATOM 488 O THR 1 37 -1.908 11.476 -0.232 1.00 0.00 O ATOM 489 CB THR 1 37 -0.860 12.605 -3.133 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.203 12.162 -3.214 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.121 12.044 -4.330 1.00 0.00 C ATOM 0 H THR 1 37 -0.165 10.282 -2.616 1.00 0.00 H new ATOM 0 HA THR 1 37 0.632 12.837 -1.603 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.798 13.693 -3.166 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.487 12.149 -4.152 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.616 12.365 -5.246 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.907 12.408 -4.326 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.121 10.955 -4.280 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.395 13.666 -0.184 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.340 13.987 0.889 1.00 0.00 C ATOM 501 C PRO 1 38 -3.752 13.510 0.567 1.00 0.00 C ATOM 502 O PRO 1 38 -4.373 13.974 -0.389 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.295 15.521 0.978 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.588 15.974 -0.257 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.664 14.855 -0.639 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.074 13.495 1.824 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.300 15.940 1.031 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.766 15.846 1.874 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.297 16.185 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.032 16.893 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.479 14.831 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.306 14.946 -0.151 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.252 12.576 1.370 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.585 12.044 1.153 1.00 0.00 C ATOM 515 C GLY 1 39 -5.574 10.553 0.880 1.00 0.00 C ATOM 516 O GLY 1 39 -6.540 9.852 1.182 1.00 0.00 O ATOM 0 H GLY 1 39 -3.757 12.178 2.168 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.201 12.246 2.029 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.047 12.561 0.312 1.00 0.00 H new ATOM 520 N SER 1 40 -4.475 10.067 0.311 1.00 0.00 N ATOM 521 CA SER 1 40 -4.335 8.651 -0.002 1.00 0.00 C ATOM 522 C SER 1 40 -3.343 7.988 0.948 1.00 0.00 C ATOM 523 O SER 1 40 -2.258 8.515 1.194 1.00 0.00 O ATOM 524 CB SER 1 40 -3.874 8.470 -1.449 1.00 0.00 C ATOM 525 OG SER 1 40 -2.490 8.742 -1.582 1.00 0.00 O ATOM 0 H SER 1 40 -3.667 10.636 0.057 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.308 8.175 0.121 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -4.080 7.450 -1.775 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.442 9.134 -2.101 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.131 8.243 -2.345 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.724 6.835 1.486 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.868 6.108 2.416 1.00 0.00 C ATOM 533 C GLN 1 41 -2.399 4.781 1.823 1.00 0.00 C ATOM 534 O GLN 1 41 -1.350 4.260 2.203 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.612 5.853 3.727 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.812 7.105 4.566 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.586 6.857 6.045 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.571 7.268 6.608 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -4.535 6.181 6.683 1.00 0.00 N ATOM 0 H GLN 1 41 -4.619 6.384 1.295 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.989 6.724 2.609 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.585 5.416 3.504 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.059 5.118 4.312 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.128 7.881 4.223 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.824 7.482 4.415 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.360 5.859 6.177 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.439 5.984 7.679 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.183 4.233 0.901 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.843 2.960 0.275 1.00 0.00 C ATOM 550 C CYS 1 42 -3.094 2.987 -1.229 1.00 0.00 C ATOM 551 O CYS 1 42 -4.231 2.866 -1.681 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.645 1.833 0.911 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.671 0.319 1.183 1.00 0.00 S ATOM 0 H CYS 1 42 -4.055 4.648 0.571 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.779 2.787 0.435 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -4.045 2.175 1.865 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.497 1.598 0.273 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.020 3.130 -1.998 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.120 3.154 -3.453 1.00 0.00 C ATOM 560 C ASN 1 43 -1.608 1.847 -4.056 1.00 0.00 C ATOM 561 O ASN 1 43 -1.525 1.707 -5.276 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.329 4.330 -4.024 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.489 4.454 -5.527 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.488 4.981 -6.015 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.502 3.965 -6.269 1.00 0.00 N ATOM 0 H ASN 1 43 -1.071 3.231 -1.639 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.172 3.271 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.660 5.253 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.273 4.207 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.554 4.018 -7.286 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.308 3.536 -5.822 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.265 0.891 -3.194 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.761 -0.403 -3.641 1.00 0.00 C ATOM 574 C TYR 1 44 -0.460 -1.290 -2.435 1.00 0.00 C ATOM 575 O TYR 1 44 0.361 -0.944 -1.586 1.00 0.00 O ATOM 576 CB TYR 1 44 0.484 -0.216 -4.525 1.00 0.00 C ATOM 577 CG TYR 1 44 1.765 -0.752 -3.925 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.971 -2.118 -3.794 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.762 0.109 -3.486 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.133 -2.614 -3.243 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.930 -0.378 -2.933 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.111 -1.741 -2.813 1.00 0.00 C ATOM 583 OH TYR 1 44 5.273 -2.231 -2.262 1.00 0.00 O ATOM 0 H TYR 1 44 -1.328 0.990 -2.181 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.524 -0.897 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.312 -0.709 -5.482 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.611 0.847 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.208 -2.804 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.622 1.176 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.277 -3.680 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.697 0.304 -2.596 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.857 -1.485 -2.013 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.148 -2.424 -2.356 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.961 -3.332 -1.239 1.00 0.00 C ATOM 595 C GLY 1 45 -2.255 -4.013 -0.826 1.00 0.00 C ATOM 596 O GLY 1 45 -3.340 -3.612 -1.249 1.00 0.00 O ATOM 0 H GLY 1 45 -1.833 -2.731 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.225 -4.089 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.556 -2.781 -0.390 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.136 -5.050 -0.006 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.292 -5.810 0.461 1.00 0.00 C ATOM 602 C GLU 1 46 -4.298 -4.943 1.215 1.00 0.00 C ATOM 603 O GLU 1 46 -5.506 -5.048 1.000 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.824 -6.938 1.378 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.399 -8.195 0.636 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.361 -7.918 -0.434 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.277 -7.400 -0.090 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.631 -8.219 -1.615 1.00 0.00 O ATOM 0 H GLU 1 46 -1.243 -5.387 0.353 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.793 -6.208 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.987 -6.582 1.979 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.629 -7.190 2.069 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -1.997 -8.915 1.349 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.274 -8.655 0.177 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.796 -4.116 2.121 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.651 -3.260 2.939 1.00 0.00 C ATOM 617 C CYS 1 47 -5.313 -2.141 2.136 1.00 0.00 C ATOM 618 O CYS 1 47 -6.255 -1.510 2.612 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.831 -2.660 4.078 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.883 -3.625 5.617 1.00 0.00 S ATOM 0 H CYS 1 47 -2.799 -4.018 2.310 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.452 -3.886 3.333 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.794 -2.567 3.755 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.194 -1.652 4.281 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.812 -1.871 0.938 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.363 -0.798 0.118 1.00 0.00 C ATOM 627 C CYS 1 48 -6.770 -1.100 -0.377 1.00 0.00 C ATOM 628 O CYS 1 48 -7.101 -2.232 -0.730 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.442 -0.510 -1.063 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.684 -0.561 -0.632 1.00 0.00 S ATOM 0 H CYS 1 48 -4.032 -2.374 0.514 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.431 0.084 0.754 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.636 -1.237 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.681 0.473 -1.469 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.586 -0.052 -0.399 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.968 -0.136 -0.846 1.00 0.00 C ATOM 637 C ASP 1 49 -9.527 1.270 -1.032 1.00 0.00 C ATOM 638 O ASP 1 49 -9.705 2.008 -0.062 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.814 -0.912 0.165 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.960 -1.657 -0.492 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.724 -2.767 -1.014 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.093 -1.132 -0.483 1.00 0.00 O ATOM 0 H ASP 1 49 -7.304 0.883 -0.105 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.002 -0.667 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.180 -1.622 0.697 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.212 -0.221 0.908 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.779 1.647 -2.280 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.294 2.978 -2.584 1.00 0.00 C ATOM 649 C GLN 1 50 -9.269 4.044 -2.204 1.00 0.00 C ATOM 650 O GLN 1 50 -9.626 5.160 -1.827 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.612 3.225 -1.844 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.845 2.966 -2.695 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.479 4.244 -3.206 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.303 4.857 -2.528 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.096 4.654 -4.410 1.00 0.00 N ATOM 0 H GLN 1 50 -9.636 1.052 -3.096 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.481 3.038 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.649 2.586 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.634 4.256 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.572 2.336 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.577 2.411 -2.108 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -12.410 4.115 -4.938 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -13.488 5.508 -4.807 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.991 3.684 -2.305 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.897 4.594 -1.975 1.00 0.00 C ATOM 666 C CYS 1 51 -6.866 4.901 -0.480 1.00 0.00 C ATOM 667 O CYS 1 51 -6.422 5.972 -0.065 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.011 5.891 -2.782 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.941 5.937 -4.258 1.00 0.00 S ATOM 0 H CYS 1 51 -7.687 2.761 -2.615 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.962 4.099 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.047 6.025 -3.092 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.760 6.733 -2.137 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.331 3.950 0.325 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.348 4.111 1.775 1.00 0.00 C ATOM 676 C ARG 1 52 -7.091 2.773 2.463 1.00 0.00 C ATOM 677 O ARG 1 52 -7.541 1.730 1.989 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.691 4.684 2.232 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.606 5.474 3.528 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.411 6.958 3.263 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.745 7.630 4.376 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.362 7.996 5.497 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.657 7.756 5.659 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.681 8.602 6.460 1.00 0.00 N ATOM 0 H ARG 1 52 -7.702 3.058 -0.003 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.556 4.806 2.052 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.087 5.330 1.448 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.401 3.867 2.360 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -9.517 5.323 4.108 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.779 5.099 4.131 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -7.822 7.090 2.355 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.380 7.425 3.085 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.749 7.830 4.289 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.185 7.289 4.922 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.124 8.039 6.520 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.685 8.787 6.341 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.153 8.883 7.319 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.362 2.802 3.576 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.054 1.577 4.306 1.00 0.00 C ATOM 700 C PHE 1 53 -7.322 0.876 4.751 1.00 0.00 C ATOM 701 O PHE 1 53 -8.278 1.513 5.195 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.167 1.857 5.523 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.751 2.200 5.167 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.152 1.639 4.054 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -3.019 3.080 5.946 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.855 1.946 3.721 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.714 3.392 5.618 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.130 2.824 4.502 1.00 0.00 C ATOM 0 H PHE 1 53 -5.977 3.652 3.988 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.509 0.926 3.623 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.598 2.678 6.095 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.168 0.981 6.172 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.711 0.950 3.438 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.473 3.527 6.818 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.402 1.500 2.848 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.151 4.079 6.233 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.110 3.066 4.242 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.319 -0.441 4.635 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.468 -1.237 5.032 1.00 0.00 C ATOM 720 C LYS 1 54 -8.678 -1.140 6.538 1.00 0.00 C ATOM 721 O LYS 1 54 -7.945 -1.749 7.313 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.273 -2.696 4.616 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.069 -3.084 3.381 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.290 -4.040 2.491 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.965 -4.216 1.141 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.848 -5.613 0.639 1.00 0.00 N ATOM 0 H LYS 1 54 -6.535 -0.981 4.270 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.354 -0.849 4.529 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.214 -2.874 4.427 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.562 -3.344 5.444 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.007 -3.550 3.683 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.326 -2.188 2.816 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.278 -3.662 2.347 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.202 -5.008 2.984 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.018 -3.947 1.224 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.517 -3.532 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.321 -5.691 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.843 -5.862 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.298 -6.263 1.315 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.680 -0.360 6.946 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.988 -0.170 8.365 1.00 0.00 C ATOM 742 C LYS 1 55 -9.668 -1.423 9.173 1.00 0.00 C ATOM 743 O LYS 1 55 -10.120 -2.522 8.839 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.462 0.200 8.542 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.838 0.530 9.977 1.00 0.00 C ATOM 746 CD LYS 1 55 -11.358 1.916 10.374 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.988 1.977 11.847 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.005 3.372 12.367 1.00 0.00 N ATOM 0 H LYS 1 55 -10.294 0.152 6.312 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.365 0.644 8.736 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.691 1.057 7.909 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.080 -0.628 8.194 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.920 0.471 10.093 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.405 -0.212 10.648 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -10.494 2.190 9.769 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -12.139 2.647 10.163 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.685 1.367 12.422 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.996 1.548 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -10.747 3.370 13.375 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.322 3.949 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.958 3.773 12.254 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.871 -1.256 10.229 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.482 -2.377 11.073 1.00 0.00 C ATOM 764 C ALA 1 56 -9.651 -3.321 11.288 1.00 0.00 C ATOM 765 O ALA 1 56 -10.750 -2.895 11.644 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.953 -1.898 12.410 1.00 0.00 C ATOM 0 H ALA 1 56 -8.485 -0.357 10.516 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.685 -2.914 10.559 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.671 -2.757 13.018 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -7.081 -1.264 12.250 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.727 -1.328 12.924 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.415 -4.596 11.048 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.472 -5.574 11.197 1.00 0.00 C ATOM 774 C GLY 1 57 -10.809 -6.230 9.877 1.00 0.00 C ATOM 775 O GLY 1 57 -11.499 -7.249 9.838 1.00 0.00 O ATOM 0 H GLY 1 57 -8.515 -4.974 10.753 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.167 -6.335 11.915 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.361 -5.091 11.602 1.00 0.00 H new ATOM 779 N THR 1 58 -10.303 -5.651 8.790 1.00 0.00 N ATOM 780 CA THR 1 58 -10.529 -6.197 7.462 1.00 0.00 C ATOM 781 C THR 1 58 -9.607 -7.389 7.234 1.00 0.00 C ATOM 782 O THR 1 58 -8.385 -7.259 7.307 1.00 0.00 O ATOM 783 CB THR 1 58 -10.273 -5.130 6.398 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.157 -4.035 6.558 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.434 -5.650 4.989 1.00 0.00 C ATOM 0 H THR 1 58 -9.735 -4.804 8.807 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.566 -6.523 7.386 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.238 -4.820 6.541 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.863 -3.485 7.314 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.239 -4.846 4.280 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.728 -6.463 4.818 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.451 -6.017 4.851 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.191 -8.552 6.974 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.402 -9.756 6.759 1.00 0.00 C ATOM 795 C VAL 1 59 -8.844 -9.819 5.340 1.00 0.00 C ATOM 796 O VAL 1 59 -9.597 -9.829 4.366 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.230 -11.030 7.029 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.421 -11.105 6.085 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.361 -12.274 6.905 1.00 0.00 C ATOM 0 H VAL 1 59 -11.200 -8.686 6.907 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.573 -9.710 7.465 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.608 -10.982 8.050 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.992 -12.010 6.291 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.058 -10.233 6.232 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.067 -11.126 5.054 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.965 -13.160 7.099 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.948 -12.330 5.898 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.548 -12.223 7.629 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.518 -9.866 5.231 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.865 -9.934 3.922 1.00 0.00 C ATOM 811 C CYS 1 60 -6.327 -11.336 3.627 1.00 0.00 C ATOM 812 O CYS 1 60 -6.131 -11.702 2.468 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.715 -8.931 3.839 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.149 -7.245 4.370 1.00 0.00 S ATOM 0 H CYS 1 60 -6.878 -9.858 6.025 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.622 -9.688 3.178 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.890 -9.291 4.453 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.355 -8.894 2.811 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.073 -12.108 4.679 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.536 -13.462 4.527 1.00 0.00 C ATOM 821 C ARG 1 61 -6.059 -14.388 5.627 1.00 0.00 C ATOM 822 O ARG 1 61 -6.829 -13.970 6.493 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.000 -13.421 4.564 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.323 -14.552 3.801 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.906 -14.184 3.376 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.137 -13.565 4.457 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.006 -12.250 4.621 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.612 -11.403 3.797 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.270 -11.779 5.618 1.00 0.00 N ATOM 0 H ARG 1 61 -6.229 -11.823 5.646 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.866 -13.855 3.565 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.664 -12.469 4.153 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.673 -13.453 5.603 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.294 -15.445 4.426 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.914 -14.799 2.919 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.389 -15.081 3.034 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.951 -13.500 2.529 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.673 -14.179 5.126 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.184 -11.758 3.031 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.506 -10.397 3.931 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.195 -12.424 6.258 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.168 -10.772 5.745 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.625 -15.643 5.591 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.028 -16.630 6.582 1.00 0.00 C ATOM 845 C ILE 1 62 -5.365 -17.970 6.296 1.00 0.00 C ATOM 846 O ILE 1 62 -5.332 -18.432 5.156 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.558 -16.810 6.630 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.943 -17.889 7.648 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.101 -17.156 5.253 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.586 -17.529 9.074 1.00 0.00 C ATOM 0 H ILE 1 62 -4.989 -16.002 4.879 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.703 -16.260 7.554 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.003 -15.866 6.946 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.016 -18.070 7.585 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.446 -18.822 7.382 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.183 -17.279 5.309 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.862 -16.353 4.556 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.648 -18.085 4.906 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.887 -18.338 9.740 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.510 -17.377 9.152 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.104 -16.613 9.359 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.830 -18.581 7.341 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.155 -19.866 7.212 1.00 0.00 C ATOM 864 C ALA 1 63 -5.102 -20.936 6.683 1.00 0.00 C ATOM 865 O ALA 1 63 -5.020 -21.331 5.520 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.552 -20.285 8.544 1.00 0.00 C ATOM 0 H ALA 1 63 -4.849 -18.208 8.290 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.348 -19.754 6.488 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.052 -21.247 8.430 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.829 -19.536 8.868 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.342 -20.373 9.290 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.000 -21.400 7.541 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.966 -22.425 7.156 1.00 0.00 C ATOM 874 C ARG 1 64 -7.911 -22.752 8.308 1.00 0.00 C ATOM 875 O ARG 1 64 -7.828 -23.825 8.906 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.241 -23.692 6.698 1.00 0.00 C ATOM 877 CG ARG 1 64 -6.974 -24.450 5.603 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.008 -23.658 4.305 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.959 -24.078 3.380 1.00 0.00 N ATOM 880 CZ ARG 1 64 -5.922 -23.732 2.095 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.873 -22.962 1.580 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -4.932 -24.158 1.322 1.00 0.00 N ATOM 0 H ARG 1 64 -6.081 -21.085 8.508 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.559 -22.034 6.329 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.248 -23.423 6.339 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.103 -24.351 7.555 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -6.485 -25.409 5.433 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -7.993 -24.665 5.927 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.981 -23.782 3.830 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.894 -22.597 4.525 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.211 -24.671 3.739 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -7.637 -22.632 2.170 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -6.839 -22.700 0.595 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -4.199 -24.751 1.712 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -4.903 -23.893 0.337 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.810 -21.823 8.613 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.757 -22.036 9.690 1.00 0.00 C ATOM 898 C GLY 1 65 -10.122 -20.753 10.407 1.00 0.00 C ATOM 899 O GLY 1 65 -10.750 -19.865 9.829 1.00 0.00 O ATOM 0 H GLY 1 65 -8.899 -20.927 8.134 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.661 -22.493 9.289 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.334 -22.741 10.406 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.726 -20.658 11.670 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.009 -19.478 12.477 1.00 0.00 C ATOM 905 C ASP 1 66 -9.212 -19.516 13.778 1.00 0.00 C ATOM 906 O ASP 1 66 -9.712 -19.955 14.814 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.505 -19.386 12.782 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.029 -20.621 13.488 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.333 -21.616 12.796 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.134 -20.595 14.732 1.00 0.00 O ATOM 0 H ASP 1 66 -9.206 -21.387 12.159 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.711 -18.596 11.910 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.693 -18.509 13.402 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.054 -19.242 11.852 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.968 -19.062 13.709 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.084 -19.047 14.872 1.00 0.00 C ATOM 917 C TRP 1 67 -6.636 -17.625 15.184 1.00 0.00 C ATOM 918 O TRP 1 67 -7.036 -17.035 16.187 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.859 -19.934 14.612 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.756 -20.410 13.191 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.491 -19.654 12.083 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.927 -21.752 12.727 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.498 -20.442 10.962 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.758 -21.736 11.330 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.208 -22.964 13.359 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.860 -22.888 10.556 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.309 -24.108 12.590 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.135 -24.063 11.201 1.00 0.00 C ATOM 0 H TRP 1 67 -7.544 -18.697 12.856 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.633 -19.436 15.729 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.957 -19.378 14.867 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.899 -20.799 15.275 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.303 -18.590 12.090 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.336 -20.118 10.009 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.344 -23.007 14.430 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.727 -22.856 9.485 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.526 -25.052 13.068 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.220 -24.974 10.627 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.811 -17.086 14.301 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.300 -15.728 14.444 1.00 0.00 C ATOM 941 C ASN 1 68 -5.861 -14.843 13.345 1.00 0.00 C ATOM 942 O ASN 1 68 -6.150 -13.666 13.562 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.774 -15.712 14.369 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.138 -16.916 15.036 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.632 -16.826 16.155 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.162 -18.053 14.350 1.00 0.00 N ATOM 0 H ASN 1 68 -5.477 -17.572 13.469 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.612 -15.350 15.418 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.467 -15.678 13.324 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.402 -14.803 14.841 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.750 -18.897 14.748 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.592 -18.082 13.426 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.012 -15.427 12.161 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.540 -14.709 11.012 1.00 0.00 C ATOM 955 C ASP 1 69 -5.635 -13.561 10.608 1.00 0.00 C ATOM 956 O ASP 1 69 -4.773 -13.129 11.374 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.922 -14.153 11.326 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.025 -15.169 11.107 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.159 -16.090 11.941 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.757 -15.044 10.103 1.00 0.00 O ATOM 0 H ASP 1 69 -5.774 -16.401 11.974 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.599 -15.419 10.187 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.946 -13.814 12.362 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.109 -13.280 10.701 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.865 -13.051 9.409 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.105 -11.926 8.902 1.00 0.00 C ATOM 967 C ASP 1 70 -6.000 -10.710 8.835 1.00 0.00 C ATOM 968 O ASP 1 70 -7.052 -10.745 8.201 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.524 -12.232 7.525 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.737 -11.063 6.961 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.729 -9.991 7.600 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -3.135 -11.217 5.881 1.00 0.00 O ATOM 0 H ASP 1 70 -6.576 -13.402 8.768 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.272 -11.731 9.578 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.875 -13.105 7.592 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.333 -12.487 6.840 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.603 -9.646 9.513 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.415 -8.447 9.542 1.00 0.00 C ATOM 979 C TYR 1 71 -5.607 -7.176 9.384 1.00 0.00 C ATOM 980 O TYR 1 71 -4.524 -7.029 9.950 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.180 -8.393 10.850 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.345 -9.334 10.884 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.495 -9.033 10.187 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.298 -10.515 11.609 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.581 -9.873 10.202 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.377 -11.373 11.635 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.522 -11.049 10.929 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.605 -11.897 10.950 1.00 0.00 O ATOM 0 H TYR 1 71 -4.734 -9.590 10.044 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.094 -8.501 8.691 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.503 -8.631 11.671 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.536 -7.376 11.015 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.543 -8.117 9.617 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.404 -10.766 12.161 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.474 -9.618 9.651 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.329 -12.291 12.202 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.399 -12.677 11.506 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.169 -6.249 8.624 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.539 -4.962 8.395 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.490 -4.166 9.693 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.215 -4.470 10.643 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.312 -4.184 7.333 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.401 -2.767 6.647 1.00 0.00 S ATOM 0 H CYS 1 72 -7.066 -6.367 8.153 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.520 -5.125 8.043 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.576 -4.861 6.521 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.246 -3.827 7.766 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.632 -3.153 9.733 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.490 -2.320 10.922 1.00 0.00 C ATOM 1010 C THR 1 73 -4.823 -0.859 10.622 1.00 0.00 C ATOM 1011 O THR 1 73 -4.561 0.026 11.437 1.00 0.00 O ATOM 1012 CB THR 1 73 -3.067 -2.434 11.469 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.169 -1.663 10.692 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.550 -3.856 11.488 1.00 0.00 C ATOM 0 H THR 1 73 -4.025 -2.889 8.957 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.196 -2.676 11.672 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.119 -2.066 12.494 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.254 -1.981 10.839 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.536 -3.869 11.887 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.195 -4.469 12.117 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.546 -4.255 10.474 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.408 -0.612 9.451 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.774 0.740 9.067 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.637 1.732 9.222 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.872 2.929 9.388 1.00 0.00 O ATOM 0 H GLY 1 74 -5.635 -1.327 8.760 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.108 0.739 8.029 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.619 1.067 9.673 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.402 1.240 9.171 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.238 2.108 9.311 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.125 1.734 8.330 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.026 2.286 8.397 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.710 2.057 10.749 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.014 0.751 11.104 1.00 0.00 C ATOM 1035 CD LYS 1 75 0.379 0.993 11.665 1.00 0.00 C ATOM 1036 CE LYS 1 75 0.696 0.035 12.802 1.00 0.00 C ATOM 1037 NZ LYS 1 75 2.120 -0.401 12.780 1.00 0.00 N ATOM 0 H LYS 1 75 -3.183 0.253 9.035 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.557 3.124 9.077 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.013 2.881 10.899 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -2.541 2.213 11.437 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -1.612 0.207 11.835 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -0.945 0.122 10.217 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 1.117 0.875 10.872 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 0.455 2.020 12.021 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 0.479 0.518 13.755 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 0.048 -0.838 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 2.296 -1.053 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 2.321 -0.884 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 2.739 0.430 12.872 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.402 0.800 7.422 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.401 0.379 6.446 1.00 0.00 C ATOM 1053 C SER 1 76 -1.023 -0.448 5.324 1.00 0.00 C ATOM 1054 O SER 1 76 -2.188 -0.839 5.393 1.00 0.00 O ATOM 1055 CB SER 1 76 0.699 -0.429 7.136 1.00 0.00 C ATOM 1056 OG SER 1 76 0.230 -1.712 7.512 1.00 0.00 O ATOM 0 H SER 1 76 -2.301 0.325 7.342 1.00 0.00 H new ATOM 0 HA SER 1 76 0.029 1.278 6.004 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.553 -0.532 6.466 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.049 0.107 8.018 1.00 0.00 H new ATOM 0 HG SER 1 76 0.952 -2.209 7.949 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.224 -0.715 4.293 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.671 -1.504 3.147 1.00 0.00 C ATOM 1064 C SER 1 77 -0.425 -2.993 3.379 1.00 0.00 C ATOM 1065 O SER 1 77 -0.525 -3.798 2.453 1.00 0.00 O ATOM 1066 CB SER 1 77 0.062 -1.053 1.882 1.00 0.00 C ATOM 1067 OG SER 1 77 1.360 -1.617 1.815 1.00 0.00 O ATOM 0 H SER 1 77 0.742 -0.394 4.228 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.742 -1.345 3.023 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.511 -1.346 1.002 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.134 0.035 1.868 1.00 0.00 H new ATOM 0 HG SER 1 77 1.806 -1.314 0.997 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.099 -3.354 4.618 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.168 -4.745 4.959 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.901 -5.304 5.891 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.396 -4.609 6.778 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.545 -4.874 5.612 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.672 -4.830 4.599 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.861 -5.832 3.877 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.365 -3.794 4.526 1.00 0.00 O ATOM 0 H ASP 1 78 -0.014 -2.703 5.399 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.150 -5.324 4.035 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.678 -4.069 6.335 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.595 -5.811 6.166 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.244 -6.568 5.680 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.247 -7.243 6.491 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.626 -8.437 7.220 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.429 -9.497 6.625 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.403 -7.711 5.604 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.006 -6.953 6.021 1.00 0.00 S ATOM 0 H CYS 1 79 -0.838 -7.150 4.947 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.629 -6.543 7.234 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.165 -7.486 4.565 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.493 -8.794 5.683 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.302 -8.285 8.517 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.694 -9.363 9.310 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.643 -10.542 9.521 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.780 -10.363 9.952 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.379 -8.686 10.649 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.318 -7.533 10.723 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.493 -7.056 9.310 1.00 0.00 C ATOM 0 HA PRO 1 80 0.179 -9.788 8.813 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.528 -9.371 11.483 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.659 -8.354 10.690 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.272 -7.833 11.155 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.916 -6.742 11.356 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.480 -6.622 9.150 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.762 -6.290 9.049 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.162 -11.747 9.209 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.965 -12.964 9.357 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.765 -13.637 10.710 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.567 -14.473 11.127 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.661 -13.954 8.235 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.218 -14.351 8.109 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.865 -13.849 8.778 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.288 -15.353 7.233 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.012 -14.478 8.352 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.679 -15.408 7.404 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.316 -16.205 6.320 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.478 -16.290 6.683 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.472 -17.084 5.603 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.859 -17.120 5.788 1.00 0.00 C ATOM 0 H TRP 1 81 -0.220 -11.907 8.852 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.009 -12.656 9.295 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.257 -14.853 8.394 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.986 -13.519 7.290 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.825 -13.074 9.529 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.955 -14.283 8.687 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.386 -16.181 6.172 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.548 -16.319 6.825 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.012 -17.752 4.890 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.452 -17.816 5.213 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.699 -13.264 11.385 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.380 -13.818 12.696 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.183 -15.330 12.618 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.807 -16.087 13.362 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.489 -13.485 13.696 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.605 -11.996 13.955 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.167 -11.498 14.992 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.199 -11.275 13.010 1.00 0.00 N ATOM 0 H ASN 1 82 -0.029 -12.573 11.049 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.553 -13.368 13.035 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.440 -13.861 13.318 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.294 -14.001 14.636 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.306 -10.268 13.129 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.548 -11.729 12.166 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.689 -15.763 11.714 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.969 -17.183 11.541 1.00 0.00 C ATOM 1149 C HIS 1 83 2.467 -17.430 11.394 1.00 0.00 C ATOM 1150 O HIS 1 83 3.244 -16.470 11.579 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.228 -17.725 10.317 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.239 -17.427 10.327 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.936 -17.040 9.203 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.143 -17.459 11.334 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.203 -16.846 9.519 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.356 -17.095 10.805 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.850 -18.580 11.094 1.00 0.00 O ATOM 0 H HIS 1 83 1.214 -15.151 11.090 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.619 -17.707 12.431 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.671 -17.300 9.416 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.371 -18.804 10.264 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.536 -16.922 8.272 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.946 -17.722 12.363 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.983 -16.536 8.839 1.00 0.00 H new TER 1166 HIS 1 83