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= -0.86 F(o=-8.8!,f=-5.9) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5 K(o=-5.9,f=-9.6!) USER MOD Single : 1 1 SER N :NH3+ -166:sc= 0 (180deg=-0.0103) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.4) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -0.683 X(o=-0.68,f=-1) 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) USER MOD Single : 1 25 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.042) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.78 F(o=-5.2!,f=-0.78) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -48:sc= -0.422 USER MOD Single : 1 40 SER OG : rot -133:sc= -1.89! USER MOD Single : 1 41 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : 1 43 ASN : amide:sc= -5.69 K(o=-5.7,f=-18!) 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+ 148:sc= 1.14 (180deg=0.695) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 79:sc= 0.964 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+ 149:sc= -0.214 (180deg=-0.96) USER MOD Single : 1 76 SER OG : rot 180:sc= 0.00456 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 16.589 -2.681 -13.414 1.00 0.00 N ATOM 2 CA SER 1 1 15.708 -1.568 -12.974 1.00 0.00 C ATOM 3 C SER 1 1 15.839 -1.322 -11.472 1.00 0.00 C ATOM 4 O SER 1 1 15.013 -1.784 -10.685 1.00 0.00 O ATOM 5 CB SER 1 1 14.262 -1.923 -13.326 1.00 0.00 C ATOM 6 OG SER 1 1 13.486 -0.755 -13.529 1.00 0.00 O ATOM 0 H1 SER 1 1 16.664 -2.675 -14.451 1.00 0.00 H new ATOM 0 H2 SER 1 1 17.534 -2.561 -12.997 1.00 0.00 H new ATOM 0 H3 SER 1 1 16.186 -3.587 -13.102 1.00 0.00 H new ATOM 0 HA SER 1 1 16.006 -0.652 -13.485 1.00 0.00 H new ATOM 0 HB2 SER 1 1 14.244 -2.537 -14.227 1.00 0.00 H new ATOM 0 HB3 SER 1 1 13.825 -2.519 -12.525 1.00 0.00 H new ATOM 0 HG SER 1 1 12.566 -1.008 -13.754 1.00 0.00 H new ATOM 14 N PRO 1 2 16.884 -0.586 -11.056 1.00 0.00 N ATOM 15 CA PRO 1 2 17.120 -0.280 -9.641 1.00 0.00 C ATOM 16 C PRO 1 2 16.087 0.695 -9.080 1.00 0.00 C ATOM 17 O PRO 1 2 15.200 1.154 -9.799 1.00 0.00 O ATOM 18 CB PRO 1 2 18.511 0.357 -9.641 1.00 0.00 C ATOM 19 CG PRO 1 2 18.666 0.926 -11.009 1.00 0.00 C ATOM 20 CD PRO 1 2 17.916 0.003 -11.929 1.00 0.00 C ATOM 0 HA PRO 1 2 17.044 -1.168 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 18.592 1.132 -8.878 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 19.285 -0.381 -9.429 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 18.264 1.938 -11.059 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 19.718 0.987 -11.289 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 17.474 0.543 -12.766 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 18.569 -0.761 -12.351 1.00 0.00 H new ATOM 28 N PRO 1 3 16.190 1.024 -7.781 1.00 0.00 N ATOM 29 CA PRO 1 3 15.267 1.947 -7.118 1.00 0.00 C ATOM 30 C PRO 1 3 15.506 3.390 -7.544 1.00 0.00 C ATOM 31 O PRO 1 3 16.502 4.002 -7.160 1.00 0.00 O ATOM 32 CB PRO 1 3 15.577 1.769 -5.622 1.00 0.00 C ATOM 33 CG PRO 1 3 16.500 0.597 -5.533 1.00 0.00 C ATOM 34 CD PRO 1 3 17.210 0.530 -6.852 1.00 0.00 C ATOM 0 HA PRO 1 3 14.228 1.736 -7.370 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.042 2.665 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.665 1.592 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.209 0.720 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.946 -0.322 -5.341 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.106 1.151 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 17.523 -0.486 -7.094 1.00 0.00 H new ATOM 42 N VAL 1 4 14.593 3.930 -8.348 1.00 0.00 N ATOM 43 CA VAL 1 4 14.721 5.301 -8.828 1.00 0.00 C ATOM 44 C VAL 1 4 13.540 6.166 -8.401 1.00 0.00 C ATOM 45 O VAL 1 4 12.416 5.971 -8.864 1.00 0.00 O ATOM 46 CB VAL 1 4 14.847 5.344 -10.364 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.310 5.360 -10.778 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.122 4.163 -10.995 1.00 0.00 C ATOM 0 H VAL 1 4 13.761 3.441 -8.679 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.629 5.702 -8.378 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.379 6.261 -10.722 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.380 5.390 -11.865 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.797 6.240 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.803 4.461 -10.408 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.223 4.211 -12.079 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.557 3.232 -10.631 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.066 4.199 -10.727 1.00 0.00 H new ATOM 58 N CYS 1 5 13.807 7.140 -7.535 1.00 0.00 N ATOM 59 CA CYS 1 5 12.769 8.052 -7.071 1.00 0.00 C ATOM 60 C CYS 1 5 12.555 9.134 -8.121 1.00 0.00 C ATOM 61 O CYS 1 5 13.356 10.059 -8.251 1.00 0.00 O ATOM 62 CB CYS 1 5 13.162 8.673 -5.725 1.00 0.00 C ATOM 63 SG CYS 1 5 12.135 10.093 -5.211 1.00 0.00 S ATOM 0 H CYS 1 5 14.731 7.317 -7.142 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.839 7.502 -6.925 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.106 7.904 -4.955 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.202 8.995 -5.779 1.00 0.00 H new ATOM 68 N GLY 1 6 11.487 8.986 -8.892 1.00 0.00 N ATOM 69 CA GLY 1 6 11.199 9.927 -9.954 1.00 0.00 C ATOM 70 C GLY 1 6 11.311 9.257 -11.307 1.00 0.00 C ATOM 71 O GLY 1 6 11.644 9.894 -12.307 1.00 0.00 O ATOM 0 H GLY 1 6 10.812 8.227 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.195 10.332 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.891 10.767 -9.900 1.00 0.00 H new ATOM 75 N ASN 1 7 11.033 7.957 -11.323 1.00 0.00 N ATOM 76 CA ASN 1 7 11.095 7.156 -12.535 1.00 0.00 C ATOM 77 C ASN 1 7 9.780 6.413 -12.741 1.00 0.00 C ATOM 78 O ASN 1 7 9.628 5.645 -13.691 1.00 0.00 O ATOM 79 CB ASN 1 7 12.246 6.153 -12.436 1.00 0.00 C ATOM 80 CG ASN 1 7 13.536 6.693 -13.020 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.008 7.762 -12.632 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.114 5.955 -13.961 1.00 0.00 N ATOM 0 H ASN 1 7 10.758 7.431 -10.493 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.265 7.816 -13.386 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.406 5.890 -11.390 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.971 5.236 -12.957 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.984 6.268 -14.392 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.688 5.075 -14.252 1.00 0.00 H new ATOM 89 N LYS 1 8 8.835 6.648 -11.832 1.00 0.00 N ATOM 90 CA LYS 1 8 7.528 6.013 -11.883 1.00 0.00 C ATOM 91 C LYS 1 8 7.589 4.583 -11.354 1.00 0.00 C ATOM 92 O LYS 1 8 6.681 3.787 -11.594 1.00 0.00 O ATOM 93 CB LYS 1 8 6.967 6.023 -13.308 1.00 0.00 C ATOM 94 CG LYS 1 8 5.454 6.155 -13.366 1.00 0.00 C ATOM 95 CD LYS 1 8 4.863 5.318 -14.489 1.00 0.00 C ATOM 96 CE LYS 1 8 5.121 3.836 -14.275 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.183 2.989 -15.062 1.00 0.00 N ATOM 0 H LYS 1 8 8.958 7.283 -11.043 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.860 6.589 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.417 6.848 -13.861 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.263 5.103 -13.812 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.024 5.844 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.185 7.201 -13.510 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.789 5.496 -14.551 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.293 5.629 -15.441 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.147 3.602 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.022 3.600 -13.216 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 4.392 1.985 -14.888 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 3.205 3.194 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 4.295 3.196 -16.075 1.00 0.00 H new ATOM 111 N ILE 1 9 8.658 4.259 -10.628 1.00 0.00 N ATOM 112 CA ILE 1 9 8.817 2.925 -10.066 1.00 0.00 C ATOM 113 C ILE 1 9 8.858 2.983 -8.548 1.00 0.00 C ATOM 114 O ILE 1 9 9.802 3.518 -7.968 1.00 0.00 O ATOM 115 CB ILE 1 9 10.104 2.225 -10.565 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.816 3.072 -11.624 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.780 0.842 -11.111 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.065 2.422 -12.176 1.00 0.00 C ATOM 0 H ILE 1 9 9.422 4.901 -10.418 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.955 2.348 -10.400 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.779 2.113 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.126 3.270 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.079 4.036 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.696 0.364 -11.458 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.330 0.237 -10.324 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.082 0.934 -11.943 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.517 3.077 -12.920 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.774 2.249 -11.366 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.805 1.470 -12.640 1.00 0.00 H new ATOM 130 N LEU 1 10 7.842 2.418 -7.907 1.00 0.00 N ATOM 131 CA LEU 1 10 7.786 2.396 -6.452 1.00 0.00 C ATOM 132 C LEU 1 10 8.872 1.471 -5.919 1.00 0.00 C ATOM 133 O LEU 1 10 8.585 0.411 -5.363 1.00 0.00 O ATOM 134 CB LEU 1 10 6.410 1.927 -5.967 1.00 0.00 C ATOM 135 CG LEU 1 10 5.234 2.308 -6.869 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.896 1.165 -7.816 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.021 2.688 -6.031 1.00 0.00 C ATOM 0 H LEU 1 10 7.050 1.971 -8.369 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.951 3.406 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.430 0.842 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.233 2.339 -4.974 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.523 3.173 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.057 1.454 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.762 0.941 -8.439 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.626 0.281 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.194 2.956 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.730 1.842 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.270 3.538 -5.396 1.00 0.00 H new ATOM 149 N GLU 1 11 10.123 1.872 -6.116 1.00 0.00 N ATOM 150 CA GLU 1 11 11.255 1.071 -5.679 1.00 0.00 C ATOM 151 C GLU 1 11 12.202 1.881 -4.803 1.00 0.00 C ATOM 152 O GLU 1 11 12.588 1.436 -3.722 1.00 0.00 O ATOM 153 CB GLU 1 11 12.000 0.516 -6.893 1.00 0.00 C ATOM 154 CG GLU 1 11 13.091 -0.478 -6.534 1.00 0.00 C ATOM 155 CD GLU 1 11 13.929 -0.881 -7.731 1.00 0.00 C ATOM 156 OE1 GLU 1 11 13.440 -0.744 -8.872 1.00 0.00 O ATOM 157 OE2 GLU 1 11 15.076 -1.333 -7.528 1.00 0.00 O ATOM 0 H GLU 1 11 10.376 2.747 -6.575 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.875 0.243 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.284 0.033 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.442 1.344 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.738 -0.043 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.637 -1.367 -6.097 1.00 0.00 H new ATOM 164 N GLN 1 12 12.581 3.068 -5.270 1.00 0.00 N ATOM 165 CA GLN 1 12 13.490 3.925 -4.511 1.00 0.00 C ATOM 166 C GLN 1 12 12.826 4.460 -3.241 1.00 0.00 C ATOM 167 O GLN 1 12 12.639 5.667 -3.088 1.00 0.00 O ATOM 168 CB GLN 1 12 13.972 5.085 -5.380 1.00 0.00 C ATOM 169 CG GLN 1 12 15.416 5.482 -5.120 1.00 0.00 C ATOM 170 CD GLN 1 12 15.542 6.566 -4.068 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.311 6.326 -2.882 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.911 7.768 -4.496 1.00 0.00 N ATOM 0 H GLN 1 12 12.276 3.457 -6.163 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.346 3.320 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.863 4.812 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.330 5.949 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.978 4.604 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.867 5.829 -6.050 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.092 7.923 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.013 8.536 -3.833 1.00 0.00 H new ATOM 181 N GLY 1 13 12.484 3.548 -2.329 1.00 0.00 N ATOM 182 CA GLY 1 13 11.855 3.926 -1.071 1.00 0.00 C ATOM 183 C GLY 1 13 10.840 5.045 -1.212 1.00 0.00 C ATOM 184 O GLY 1 13 10.735 5.907 -0.339 1.00 0.00 O ATOM 0 H GLY 1 13 12.633 2.545 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.363 3.052 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.627 4.234 -0.366 1.00 0.00 H new ATOM 188 N GLU 1 14 10.094 5.038 -2.310 1.00 0.00 N ATOM 189 CA GLU 1 14 9.089 6.069 -2.548 1.00 0.00 C ATOM 190 C GLU 1 14 7.696 5.601 -2.127 1.00 0.00 C ATOM 191 O GLU 1 14 7.039 6.244 -1.308 1.00 0.00 O ATOM 192 CB GLU 1 14 9.084 6.499 -4.020 1.00 0.00 C ATOM 193 CG GLU 1 14 9.071 5.345 -5.012 1.00 0.00 C ATOM 194 CD GLU 1 14 10.126 5.493 -6.090 1.00 0.00 C ATOM 195 OE1 GLU 1 14 11.311 5.239 -5.797 1.00 0.00 O ATOM 196 OE2 GLU 1 14 9.769 5.866 -7.226 1.00 0.00 O ATOM 0 H GLU 1 14 10.164 4.335 -3.046 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.355 6.930 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.211 7.126 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.963 7.115 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 9.232 4.409 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.087 5.281 -5.477 1.00 0.00 H new ATOM 203 N ASP 1 15 7.250 4.484 -2.693 1.00 0.00 N ATOM 204 CA ASP 1 15 5.933 3.929 -2.382 1.00 0.00 C ATOM 205 C ASP 1 15 4.820 4.726 -3.062 1.00 0.00 C ATOM 206 O ASP 1 15 3.640 4.533 -2.769 1.00 0.00 O ATOM 207 CB ASP 1 15 5.703 3.901 -0.867 1.00 0.00 C ATOM 208 CG ASP 1 15 5.104 2.590 -0.397 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.615 1.524 -0.803 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.123 2.628 0.376 1.00 0.00 O ATOM 0 H ASP 1 15 7.783 3.942 -3.373 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.907 2.909 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.651 4.068 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.041 4.721 -0.588 1.00 0.00 H new ATOM 215 N CYS 1 16 5.203 5.616 -3.977 1.00 0.00 N ATOM 216 CA CYS 1 16 4.245 6.440 -4.711 1.00 0.00 C ATOM 217 C CYS 1 16 4.961 7.571 -5.433 1.00 0.00 C ATOM 218 O CYS 1 16 4.990 8.706 -4.958 1.00 0.00 O ATOM 219 CB CYS 1 16 3.176 7.013 -3.776 1.00 0.00 C ATOM 220 SG CYS 1 16 1.542 6.222 -3.932 1.00 0.00 S ATOM 0 H CYS 1 16 6.177 5.785 -4.228 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.752 5.803 -5.445 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.519 6.912 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.071 8.080 -3.974 1.00 0.00 H new ATOM 225 N ASP 1 17 5.545 7.252 -6.581 1.00 0.00 N ATOM 226 CA ASP 1 17 6.269 8.243 -7.364 1.00 0.00 C ATOM 227 C ASP 1 17 5.792 8.267 -8.812 1.00 0.00 C ATOM 228 O ASP 1 17 5.187 7.312 -9.301 1.00 0.00 O ATOM 229 CB ASP 1 17 7.770 7.951 -7.317 1.00 0.00 C ATOM 230 CG ASP 1 17 8.572 8.875 -8.214 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.747 10.056 -7.847 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.019 8.418 -9.286 1.00 0.00 O ATOM 0 H ASP 1 17 5.531 6.317 -6.989 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.073 9.223 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.124 8.050 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.945 6.918 -7.617 1.00 0.00 H new ATOM 237 N CYS 1 18 6.088 9.368 -9.490 1.00 0.00 N ATOM 238 CA CYS 1 18 5.717 9.543 -10.887 1.00 0.00 C ATOM 239 C CYS 1 18 6.935 9.962 -11.704 1.00 0.00 C ATOM 240 O CYS 1 18 7.619 10.924 -11.358 1.00 0.00 O ATOM 241 CB CYS 1 18 4.626 10.602 -11.021 1.00 0.00 C ATOM 242 SG CYS 1 18 3.137 10.276 -10.022 1.00 0.00 S ATOM 0 H CYS 1 18 6.589 10.161 -9.089 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.338 8.593 -11.263 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.038 11.569 -10.733 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.337 10.678 -12.069 1.00 0.00 H new ATOM 247 N GLY 1 19 7.204 9.237 -12.786 1.00 0.00 N ATOM 248 CA GLY 1 19 8.344 9.554 -13.635 1.00 0.00 C ATOM 249 C GLY 1 19 8.533 11.049 -13.831 1.00 0.00 C ATOM 250 O GLY 1 19 9.660 11.543 -13.844 1.00 0.00 O ATOM 0 H GLY 1 19 6.654 8.435 -13.092 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.248 9.133 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.211 9.078 -14.607 1.00 0.00 H new ATOM 254 N SER 1 20 7.423 11.767 -13.976 1.00 0.00 N ATOM 255 CA SER 1 20 7.466 13.213 -14.162 1.00 0.00 C ATOM 256 C SER 1 20 6.364 13.899 -13.351 1.00 0.00 C ATOM 257 O SER 1 20 5.180 13.649 -13.575 1.00 0.00 O ATOM 258 CB SER 1 20 7.313 13.560 -15.645 1.00 0.00 C ATOM 259 OG SER 1 20 8.566 13.542 -16.305 1.00 0.00 O ATOM 0 H SER 1 20 6.483 11.371 -13.968 1.00 0.00 H new ATOM 0 HA SER 1 20 8.432 13.573 -13.808 1.00 0.00 H new ATOM 0 HB2 SER 1 20 6.638 12.848 -16.120 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.859 14.546 -15.746 1.00 0.00 H new ATOM 0 HG SER 1 20 8.441 13.765 -17.251 1.00 0.00 H new ATOM 265 N PRO 1 21 6.731 14.777 -12.395 1.00 0.00 N ATOM 266 CA PRO 1 21 5.755 15.489 -11.563 1.00 0.00 C ATOM 267 C PRO 1 21 4.681 16.183 -12.395 1.00 0.00 C ATOM 268 O PRO 1 21 3.579 16.440 -11.911 1.00 0.00 O ATOM 269 CB PRO 1 21 6.597 16.523 -10.799 1.00 0.00 C ATOM 270 CG PRO 1 21 7.938 16.517 -11.455 1.00 0.00 C ATOM 271 CD PRO 1 21 8.108 15.149 -12.045 1.00 0.00 C ATOM 0 HA PRO 1 21 5.213 14.806 -10.909 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.142 17.512 -10.848 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.676 16.261 -9.744 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 7.997 17.284 -12.227 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.726 16.730 -10.733 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.759 15.163 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.547 14.452 -11.332 1.00 0.00 H new ATOM 279 N ALA 1 22 5.002 16.474 -13.653 1.00 0.00 N ATOM 280 CA ALA 1 22 4.057 17.125 -14.549 1.00 0.00 C ATOM 281 C ALA 1 22 3.065 16.107 -15.091 1.00 0.00 C ATOM 282 O ALA 1 22 1.894 16.416 -15.312 1.00 0.00 O ATOM 283 CB ALA 1 22 4.792 17.814 -15.688 1.00 0.00 C ATOM 0 H ALA 1 22 5.909 16.269 -14.072 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.508 17.883 -13.989 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.070 18.295 -16.348 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.470 18.565 -15.282 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.363 17.076 -16.251 1.00 0.00 H new ATOM 289 N ASN 1 23 3.547 14.885 -15.288 1.00 0.00 N ATOM 290 CA ASN 1 23 2.711 13.803 -15.788 1.00 0.00 C ATOM 291 C ASN 1 23 2.410 12.804 -14.674 1.00 0.00 C ATOM 292 O ASN 1 23 2.091 11.644 -14.935 1.00 0.00 O ATOM 293 CB ASN 1 23 3.397 13.095 -16.958 1.00 0.00 C ATOM 294 CG ASN 1 23 3.620 14.017 -18.140 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.669 14.473 -18.775 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.883 14.296 -18.443 1.00 0.00 N ATOM 0 H ASN 1 23 4.515 14.620 -15.108 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.771 14.229 -16.139 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.355 12.696 -16.626 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.790 12.246 -17.272 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.095 14.910 -19.229 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.641 13.896 -17.889 1.00 0.00 H new ATOM 303 N CYS 1 24 2.521 13.265 -13.431 1.00 0.00 N ATOM 304 CA CYS 1 24 2.270 12.425 -12.273 1.00 0.00 C ATOM 305 C CYS 1 24 0.800 12.066 -12.172 1.00 0.00 C ATOM 306 O CYS 1 24 0.011 12.775 -11.548 1.00 0.00 O ATOM 307 CB CYS 1 24 2.728 13.124 -10.996 1.00 0.00 C ATOM 308 SG CYS 1 24 2.495 12.128 -9.489 1.00 0.00 S ATOM 0 H CYS 1 24 2.785 14.224 -13.203 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.841 11.505 -12.395 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.783 13.380 -11.091 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.181 14.061 -10.889 1.00 0.00 H new ATOM 313 N GLN 1 25 0.444 10.956 -12.795 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.934 10.485 -12.787 1.00 0.00 C ATOM 315 C GLN 1 25 -1.012 9.011 -12.398 1.00 0.00 C ATOM 316 O GLN 1 25 -1.294 8.154 -13.235 1.00 0.00 O ATOM 317 CB GLN 1 25 -1.573 10.697 -14.161 1.00 0.00 C ATOM 318 CG GLN 1 25 -2.242 12.052 -14.318 1.00 0.00 C ATOM 319 CD GLN 1 25 -3.331 12.046 -15.374 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -3.317 12.855 -16.301 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -4.282 11.130 -15.237 1.00 0.00 N ATOM 0 H GLN 1 25 1.090 10.362 -13.314 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.482 11.063 -12.043 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.807 10.588 -14.929 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -2.312 9.914 -14.334 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -2.670 12.355 -13.362 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -1.490 12.796 -14.581 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -4.254 10.479 -14.452 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -5.041 11.077 -15.916 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.775 8.721 -11.121 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.837 7.356 -10.631 1.00 0.00 C ATOM 332 C ASP 1 26 -1.729 7.282 -9.401 1.00 0.00 C ATOM 333 O ASP 1 26 -1.281 7.517 -8.279 1.00 0.00 O ATOM 334 CB ASP 1 26 0.565 6.844 -10.296 1.00 0.00 C ATOM 335 CG ASP 1 26 0.560 5.398 -9.840 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.117 4.573 -10.489 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.232 5.091 -8.834 1.00 0.00 O ATOM 0 H ASP 1 26 -0.539 9.415 -10.412 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.259 6.725 -11.413 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.204 6.943 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.999 7.467 -9.514 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.992 6.944 -9.627 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.972 6.821 -8.561 1.00 0.00 C ATOM 344 C ARG 1 27 -3.884 7.984 -7.572 1.00 0.00 C ATOM 345 O ARG 1 27 -4.535 9.014 -7.746 1.00 0.00 O ATOM 346 CB ARG 1 27 -3.765 5.493 -7.840 1.00 0.00 C ATOM 347 CG ARG 1 27 -4.542 4.338 -8.452 1.00 0.00 C ATOM 348 CD ARG 1 27 -3.693 3.559 -9.443 1.00 0.00 C ATOM 349 NE ARG 1 27 -4.416 2.423 -10.010 1.00 0.00 N ATOM 350 CZ ARG 1 27 -3.966 1.690 -11.026 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -2.797 1.968 -11.588 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -4.688 0.674 -11.480 1.00 0.00 N ATOM 0 H ARG 1 27 -3.364 6.748 -10.556 1.00 0.00 H new ATOM 0 HA ARG 1 27 -4.968 6.850 -9.004 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -2.703 5.248 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -4.061 5.606 -6.797 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -4.886 3.670 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.430 4.721 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -3.373 4.223 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -2.791 3.203 -8.946 1.00 0.00 H new ATOM 0 HE ARG 1 27 -5.319 2.177 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -2.237 2.747 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -2.458 1.402 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -5.587 0.455 -11.051 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -4.344 0.112 -12.258 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.078 7.803 -6.534 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.898 8.823 -5.505 1.00 0.00 C ATOM 368 C CYS 1 28 -1.424 8.988 -5.136 1.00 0.00 C ATOM 369 O CYS 1 28 -1.097 9.281 -3.986 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.703 8.460 -4.254 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.503 8.344 -4.525 1.00 0.00 S ATOM 0 H CYS 1 28 -2.534 6.954 -6.381 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.258 9.769 -5.909 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.343 7.506 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.511 9.207 -3.484 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.535 8.790 -6.105 1.00 0.00 N ATOM 377 CA CYS 1 29 0.899 8.912 -5.855 1.00 0.00 C ATOM 378 C CYS 1 29 1.438 10.254 -6.339 1.00 0.00 C ATOM 379 O CYS 1 29 1.089 10.719 -7.422 1.00 0.00 O ATOM 380 CB CYS 1 29 1.656 7.777 -6.545 1.00 0.00 C ATOM 381 SG CYS 1 29 1.230 6.114 -5.937 1.00 0.00 S ATOM 0 H CYS 1 29 -0.779 8.546 -7.065 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.052 8.850 -4.778 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.457 7.822 -7.616 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.726 7.936 -6.413 1.00 0.00 H new ATOM 386 N ASN 1 30 2.301 10.865 -5.529 1.00 0.00 N ATOM 387 CA ASN 1 30 2.903 12.148 -5.875 1.00 0.00 C ATOM 388 C ASN 1 30 4.404 11.994 -6.114 1.00 0.00 C ATOM 389 O ASN 1 30 5.113 11.382 -5.309 1.00 0.00 O ATOM 390 CB ASN 1 30 2.646 13.174 -4.770 1.00 0.00 C ATOM 391 CG ASN 1 30 3.090 14.569 -5.163 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.034 15.123 -4.411 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 2.590 15.142 -6.131 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.598 10.490 -4.628 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.442 12.503 -6.797 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.583 13.188 -4.531 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.172 12.869 -3.865 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 1.867 14.678 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 2.899 16.081 -6.383 1.00 0.00 H new ATOM 400 N ALA 1 31 4.877 12.551 -7.228 1.00 0.00 N ATOM 401 CA ALA 1 31 6.288 12.481 -7.590 1.00 0.00 C ATOM 402 C ALA 1 31 7.115 13.466 -6.775 1.00 0.00 C ATOM 403 O ALA 1 31 8.216 13.150 -6.326 1.00 0.00 O ATOM 404 CB ALA 1 31 6.455 12.758 -9.076 1.00 0.00 C ATOM 0 H ALA 1 31 4.298 13.058 -7.898 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.648 11.476 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.511 12.704 -9.340 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.900 12.016 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.074 13.753 -9.306 1.00 0.00 H new ATOM 410 N ALA 1 32 6.572 14.664 -6.590 1.00 0.00 N ATOM 411 CA ALA 1 32 7.251 15.708 -5.831 1.00 0.00 C ATOM 412 C ALA 1 32 7.623 15.235 -4.427 1.00 0.00 C ATOM 413 O ALA 1 32 8.447 15.856 -3.755 1.00 0.00 O ATOM 414 CB ALA 1 32 6.375 16.949 -5.753 1.00 0.00 C ATOM 0 H ALA 1 32 5.660 14.937 -6.957 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.177 15.951 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.890 17.723 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.170 17.314 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.436 16.701 -5.259 1.00 0.00 H new ATOM 420 N THR 1 33 7.011 14.141 -3.982 1.00 0.00 N ATOM 421 CA THR 1 33 7.283 13.603 -2.656 1.00 0.00 C ATOM 422 C THR 1 33 7.785 12.169 -2.740 1.00 0.00 C ATOM 423 O THR 1 33 8.398 11.661 -1.801 1.00 0.00 O ATOM 424 CB THR 1 33 6.012 13.638 -1.805 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.312 13.377 -0.445 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.969 12.630 -2.249 1.00 0.00 C ATOM 0 H THR 1 33 6.325 13.612 -4.520 1.00 0.00 H new ATOM 0 HA THR 1 33 8.055 14.221 -2.197 1.00 0.00 H new ATOM 0 HB THR 1 33 5.604 14.641 -1.933 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.487 13.405 0.083 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.093 12.706 -1.605 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.681 12.835 -3.280 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.383 11.624 -2.181 1.00 0.00 H new ATOM 434 N CYS 1 34 7.489 11.507 -3.852 1.00 0.00 N ATOM 435 CA CYS 1 34 7.879 10.122 -4.027 1.00 0.00 C ATOM 436 C CYS 1 34 7.163 9.279 -2.981 1.00 0.00 C ATOM 437 O CYS 1 34 7.732 8.352 -2.411 1.00 0.00 O ATOM 438 CB CYS 1 34 9.400 9.962 -3.900 1.00 0.00 C ATOM 439 SG CYS 1 34 10.228 9.433 -5.435 1.00 0.00 S ATOM 0 H CYS 1 34 6.982 11.909 -4.641 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.597 9.788 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.828 10.911 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.613 9.235 -3.117 1.00 0.00 H new ATOM 444 N LYS 1 35 5.907 9.631 -2.722 1.00 0.00 N ATOM 445 CA LYS 1 35 5.105 8.927 -1.730 1.00 0.00 C ATOM 446 C LYS 1 35 3.620 9.234 -1.911 1.00 0.00 C ATOM 447 O LYS 1 35 3.243 10.077 -2.725 1.00 0.00 O ATOM 448 CB LYS 1 35 5.582 9.297 -0.314 1.00 0.00 C ATOM 449 CG LYS 1 35 4.693 10.289 0.430 1.00 0.00 C ATOM 450 CD LYS 1 35 3.700 9.579 1.337 1.00 0.00 C ATOM 451 CE LYS 1 35 3.669 10.198 2.725 1.00 0.00 C ATOM 452 NZ LYS 1 35 2.320 10.100 3.347 1.00 0.00 N ATOM 0 H LYS 1 35 5.424 10.400 -3.186 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.235 7.854 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.656 8.385 0.278 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.587 9.714 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.313 10.960 1.024 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.154 10.906 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 2.705 9.625 0.895 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 3.966 8.525 1.414 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.399 9.698 3.362 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.964 11.245 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 2.341 10.533 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 1.627 10.598 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 2.048 9.100 3.431 1.00 0.00 H new ATOM 466 N LEU 1 36 2.782 8.537 -1.149 1.00 0.00 N ATOM 467 CA LEU 1 36 1.335 8.723 -1.223 1.00 0.00 C ATOM 468 C LEU 1 36 0.958 10.202 -1.183 1.00 0.00 C ATOM 469 O LEU 1 36 1.543 10.984 -0.434 1.00 0.00 O ATOM 470 CB LEU 1 36 0.651 7.981 -0.073 1.00 0.00 C ATOM 471 CG LEU 1 36 0.632 6.458 -0.208 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.827 5.798 1.149 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.669 5.996 -0.845 1.00 0.00 C ATOM 0 H LEU 1 36 3.081 7.836 -0.471 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.994 8.314 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.154 8.242 0.858 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.376 8.336 0.009 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.457 6.160 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.810 4.714 1.032 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.786 6.103 1.568 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.024 6.103 1.821 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.665 4.910 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.509 6.307 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.767 6.440 -1.836 1.00 0.00 H new ATOM 485 N THR 1 37 -0.025 10.576 -1.996 1.00 0.00 N ATOM 486 CA THR 1 37 -0.486 11.958 -2.057 1.00 0.00 C ATOM 487 C THR 1 37 -1.282 12.319 -0.805 1.00 0.00 C ATOM 488 O THR 1 37 -1.828 11.442 -0.135 1.00 0.00 O ATOM 489 CB THR 1 37 -1.350 12.173 -3.302 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.438 11.266 -3.319 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.588 12.000 -4.598 1.00 0.00 C ATOM 0 H THR 1 37 -0.518 9.940 -2.623 1.00 0.00 H new ATOM 0 HA THR 1 37 0.388 12.607 -2.112 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.696 13.205 -3.239 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.111 10.360 -3.141 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.260 12.166 -5.440 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.229 12.720 -4.638 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.184 10.989 -4.650 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.365 13.619 -0.473 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.104 14.086 0.702 1.00 0.00 C ATOM 501 C PRO 1 38 -3.552 13.607 0.693 1.00 0.00 C ATOM 502 O PRO 1 38 -4.331 13.968 -0.189 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.043 15.618 0.596 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.599 15.902 -0.801 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.754 14.733 -1.212 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.676 13.702 1.628 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.017 16.065 0.797 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.345 16.035 1.322 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.455 16.018 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.030 16.831 -0.848 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.785 14.570 -2.289 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.292 14.874 -0.941 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.903 12.787 1.678 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.254 12.265 1.763 1.00 0.00 C ATOM 515 C GLY 1 39 -5.305 10.763 1.561 1.00 0.00 C ATOM 516 O GLY 1 39 -6.195 10.089 2.081 1.00 0.00 O ATOM 0 H GLY 1 39 -3.276 12.475 2.419 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.676 12.513 2.737 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.877 12.752 1.012 1.00 0.00 H new ATOM 520 N SER 1 40 -4.346 10.238 0.804 1.00 0.00 N ATOM 521 CA SER 1 40 -4.281 8.807 0.535 1.00 0.00 C ATOM 522 C SER 1 40 -3.243 8.138 1.428 1.00 0.00 C ATOM 523 O SER 1 40 -2.166 8.685 1.664 1.00 0.00 O ATOM 524 CB SER 1 40 -3.948 8.558 -0.936 1.00 0.00 C ATOM 525 OG SER 1 40 -4.936 9.120 -1.782 1.00 0.00 O ATOM 0 H SER 1 40 -3.603 10.783 0.366 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.257 8.373 0.754 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.975 8.990 -1.170 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.874 7.486 -1.119 1.00 0.00 H new ATOM 0 HG SER 1 40 -5.199 8.462 -2.459 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.579 6.955 1.931 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.680 6.215 2.808 1.00 0.00 C ATOM 533 C GLN 1 41 -2.195 4.925 2.152 1.00 0.00 C ATOM 534 O GLN 1 41 -1.127 4.413 2.487 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.390 5.886 4.121 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.489 7.068 5.072 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.327 7.132 6.045 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.466 6.785 7.218 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.174 7.577 5.561 1.00 0.00 N ATOM 0 H GLN 1 41 -4.467 6.488 1.746 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.812 6.844 3.004 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.394 5.523 3.900 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.859 5.074 4.618 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.526 7.992 4.495 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.423 7.003 5.631 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.105 7.854 4.582 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.357 7.642 6.168 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.989 4.397 1.228 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.641 3.158 0.542 1.00 0.00 C ATOM 550 C CYS 1 42 -2.931 3.245 -0.950 1.00 0.00 C ATOM 551 O CYS 1 42 -4.087 3.318 -1.365 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.415 1.997 1.147 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.405 0.503 1.403 1.00 0.00 S ATOM 0 H CYS 1 42 -3.877 4.806 0.937 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.571 2.994 0.670 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.835 2.310 2.103 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.254 1.751 0.496 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.875 3.225 -1.754 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.017 3.290 -3.203 1.00 0.00 C ATOM 560 C ASN 1 43 -1.611 1.970 -3.855 1.00 0.00 C ATOM 561 O ASN 1 43 -1.740 1.802 -5.068 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.170 4.428 -3.768 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.494 4.716 -5.219 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.295 5.598 -5.523 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.870 3.972 -6.125 1.00 0.00 N ATOM 0 H ASN 1 43 -0.911 3.164 -1.427 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.067 3.477 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.333 5.328 -3.176 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.114 4.173 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -1.048 4.122 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.213 3.251 -5.828 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.122 1.034 -3.047 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.701 -0.267 -3.554 1.00 0.00 C ATOM 574 C TYR 1 44 -0.337 -1.190 -2.394 1.00 0.00 C ATOM 575 O TYR 1 44 0.573 -0.903 -1.617 1.00 0.00 O ATOM 576 CB TYR 1 44 0.468 -0.100 -4.541 1.00 0.00 C ATOM 577 CG TYR 1 44 1.787 -0.675 -4.072 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.938 -2.041 -3.878 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.876 0.149 -3.825 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.136 -2.571 -3.450 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.081 -0.373 -3.398 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.206 -1.734 -3.210 1.00 0.00 C ATOM 583 OH TYR 1 44 5.405 -2.260 -2.784 1.00 0.00 O ATOM 0 H TYR 1 44 -1.008 1.152 -2.040 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.526 -0.728 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.197 -0.573 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.603 0.962 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.103 -2.700 -4.066 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.780 1.215 -3.969 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.237 -3.636 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.921 0.280 -3.212 1.00 0.00 H new ATOM 0 HH TYR 1 44 6.055 -1.537 -2.663 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.077 -2.286 -2.272 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.851 -3.228 -1.193 1.00 0.00 C ATOM 595 C GLY 1 45 -2.135 -3.914 -0.757 1.00 0.00 C ATOM 596 O GLY 1 45 -3.228 -3.515 -1.161 1.00 0.00 O ATOM 0 H GLY 1 45 -1.835 -2.540 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.129 -3.979 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.412 -2.706 -0.343 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.002 -4.952 0.060 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.152 -5.712 0.543 1.00 0.00 C ATOM 602 C GLU 1 46 -4.165 -4.836 1.277 1.00 0.00 C ATOM 603 O GLU 1 46 -5.372 -4.958 1.068 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.676 -6.821 1.478 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.290 -8.103 0.759 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.270 -7.871 -0.338 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.680 -7.533 -1.468 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.060 -8.029 -0.068 1.00 0.00 O ATOM 0 H GLU 1 46 -1.103 -5.290 0.405 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.651 -6.133 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.818 -6.461 2.047 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.465 -7.042 2.197 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -1.887 -8.813 1.481 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.183 -8.558 0.330 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.670 -3.984 2.164 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.531 -3.118 2.966 1.00 0.00 C ATOM 617 C CYS 1 47 -5.132 -1.963 2.163 1.00 0.00 C ATOM 618 O CYS 1 47 -6.077 -1.321 2.618 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.733 -2.561 4.142 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.770 -3.610 5.627 1.00 0.00 S ATOM 0 H CYS 1 47 -2.673 -3.872 2.349 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.363 -3.728 3.317 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.697 -2.425 3.832 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.122 -1.575 4.397 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.575 -1.673 0.994 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.066 -0.563 0.186 1.00 0.00 C ATOM 627 C CYS 1 48 -6.457 -0.806 -0.382 1.00 0.00 C ATOM 628 O CYS 1 48 -6.802 -1.914 -0.794 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.085 -0.252 -0.941 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.350 -0.339 -0.428 1.00 0.00 S ATOM 0 H CYS 1 48 -3.792 -2.184 0.587 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.145 0.295 0.853 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.250 -0.952 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.292 0.746 -1.328 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.242 0.267 -0.398 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.604 0.241 -0.908 1.00 0.00 C ATOM 637 C ASP 1 49 -9.156 1.663 -0.972 1.00 0.00 C ATOM 638 O ASP 1 49 -9.272 2.338 0.051 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.493 -0.633 -0.020 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.180 -1.738 -0.799 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -9.488 -2.445 -1.561 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.409 -1.895 -0.646 1.00 0.00 O ATOM 0 H ASP 1 49 -6.948 1.182 -0.056 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.597 -0.186 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.889 -1.073 0.773 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.246 -0.009 0.462 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.479 2.120 -2.177 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.004 3.468 -2.366 1.00 0.00 C ATOM 649 C GLN 1 50 -8.972 4.516 -1.952 1.00 0.00 C ATOM 650 O GLN 1 50 -9.326 5.604 -1.496 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.294 3.656 -1.563 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.554 3.351 -2.356 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.688 4.305 -2.038 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.995 5.205 -2.819 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.317 4.113 -0.884 1.00 0.00 N ATOM 0 H GLN 1 50 -9.387 1.578 -3.036 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.225 3.600 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.263 3.011 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.341 4.684 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.329 3.402 -3.421 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.873 2.330 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.029 3.354 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.088 4.725 -0.615 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.696 4.176 -2.112 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.603 5.077 -1.759 1.00 0.00 C ATOM 666 C CYS 1 51 -6.560 5.326 -0.253 1.00 0.00 C ATOM 667 O CYS 1 51 -6.171 6.403 0.198 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.727 6.403 -2.518 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.928 6.391 -4.158 1.00 0.00 S ATOM 0 H CYS 1 51 -7.392 3.277 -2.486 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.668 4.598 -2.050 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.783 6.643 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.287 7.198 -1.916 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.955 4.315 0.518 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.956 4.413 1.975 1.00 0.00 C ATOM 676 C ARG 1 52 -6.714 3.042 2.603 1.00 0.00 C ATOM 677 O ARG 1 52 -7.120 2.020 2.049 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.284 4.991 2.470 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.125 6.024 3.573 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.132 5.377 4.948 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.716 6.308 5.994 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.799 6.046 7.296 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.283 4.884 7.717 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.398 6.949 8.181 1.00 0.00 N ATOM 0 H ARG 1 52 -7.279 3.418 0.157 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.149 5.082 2.275 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.808 5.447 1.630 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.912 4.177 2.834 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.192 6.569 3.431 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -8.933 6.753 3.509 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.133 5.007 5.169 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.467 4.514 4.946 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.340 7.212 5.710 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -8.594 4.186 7.041 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -8.344 4.689 8.716 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.026 7.844 7.864 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.462 6.748 9.179 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.049 3.020 3.757 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.762 1.761 4.437 1.00 0.00 C ATOM 700 C PHE 1 53 -7.043 1.054 4.837 1.00 0.00 C ATOM 701 O PHE 1 53 -8.011 1.684 5.260 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.892 1.983 5.680 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.465 2.321 5.364 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.849 1.787 4.248 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.740 3.171 6.182 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.543 2.089 3.948 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.425 3.479 5.888 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.825 2.937 4.768 1.00 0.00 C ATOM 0 H PHE 1 53 -5.702 3.851 4.236 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.214 1.135 3.733 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.323 2.787 6.276 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.916 1.083 6.295 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.403 1.122 3.602 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.206 3.597 7.058 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.078 1.663 3.071 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.868 4.142 6.533 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.202 3.176 4.534 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.035 -0.264 4.708 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.195 -1.065 5.067 1.00 0.00 C ATOM 720 C LYS 1 54 -8.419 -1.009 6.573 1.00 0.00 C ATOM 721 O LYS 1 54 -7.773 -1.731 7.327 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.004 -2.515 4.612 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.830 -2.882 3.388 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.199 -4.027 2.609 1.00 0.00 C ATOM 725 CE LYS 1 54 -7.974 -3.655 1.153 1.00 0.00 C ATOM 726 NZ LYS 1 54 -7.844 -4.858 0.286 1.00 0.00 N ATOM 0 H LYS 1 54 -6.241 -0.800 4.359 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.072 -0.658 4.564 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -6.950 -2.682 4.392 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.268 -3.182 5.432 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.836 -3.163 3.698 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -8.928 -2.011 2.740 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.248 -4.299 3.067 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.843 -4.905 2.666 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.805 -3.043 0.802 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.073 -3.048 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.224 -4.647 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -6.841 -5.121 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -8.376 -5.647 0.705 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.331 -0.135 7.003 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.643 0.035 8.425 1.00 0.00 C ATOM 742 C LYS 1 55 -9.387 -1.246 9.214 1.00 0.00 C ATOM 743 O LYS 1 55 -9.869 -2.320 8.845 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.100 0.467 8.598 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.471 0.797 10.035 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.486 1.925 10.103 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.953 2.169 11.529 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.160 3.236 12.199 1.00 0.00 N ATOM 0 H LYS 1 55 -9.870 0.470 6.383 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.984 0.810 8.817 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.288 1.340 7.973 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.751 -0.329 8.237 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.879 -0.090 10.520 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.575 1.079 10.588 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.045 2.838 9.702 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.343 1.683 9.475 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -14.006 2.449 11.523 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.873 1.244 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -12.510 3.371 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -11.158 2.958 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.257 4.125 11.669 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.612 -1.128 10.293 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.284 -2.278 11.123 1.00 0.00 C ATOM 764 C ALA 1 56 -9.493 -3.174 11.307 1.00 0.00 C ATOM 765 O ALA 1 56 -10.597 -2.701 11.582 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.754 -1.843 12.475 1.00 0.00 C ATOM 0 H ALA 1 56 -8.203 -0.249 10.608 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.504 -2.841 10.610 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.517 -2.723 13.073 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.853 -1.245 12.337 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.510 -1.248 12.988 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.285 -4.463 11.130 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.378 -5.404 11.255 1.00 0.00 C ATOM 774 C GLY 1 57 -10.735 -6.014 9.918 1.00 0.00 C ATOM 775 O GLY 1 57 -11.468 -7.001 9.852 1.00 0.00 O ATOM 0 H GLY 1 57 -8.382 -4.878 10.902 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.103 -6.193 11.955 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.250 -4.899 11.671 1.00 0.00 H new ATOM 779 N THR 1 58 -10.196 -5.433 8.848 1.00 0.00 N ATOM 780 CA THR 1 58 -10.435 -5.933 7.506 1.00 0.00 C ATOM 781 C THR 1 58 -9.559 -7.153 7.245 1.00 0.00 C ATOM 782 O THR 1 58 -8.334 -7.072 7.322 1.00 0.00 O ATOM 783 CB THR 1 58 -10.134 -4.849 6.472 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.980 -3.728 6.656 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.305 -5.327 5.051 1.00 0.00 C ATOM 0 H THR 1 58 -9.590 -4.614 8.890 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.484 -6.217 7.420 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.090 -4.579 6.627 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.643 -3.182 7.397 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.077 -4.513 4.363 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.628 -6.160 4.864 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.334 -5.654 4.898 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.187 -8.284 6.950 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.445 -9.511 6.696 1.00 0.00 C ATOM 795 C VAL 1 59 -8.893 -9.548 5.274 1.00 0.00 C ATOM 796 O VAL 1 59 -9.652 -9.539 4.304 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.319 -10.761 6.928 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.521 -10.754 5.996 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.500 -12.032 6.745 1.00 0.00 C ATOM 0 H VAL 1 59 -11.200 -8.377 6.881 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.615 -9.520 7.402 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.684 -10.738 7.955 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.125 -11.643 6.175 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.121 -9.864 6.183 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.179 -10.750 4.961 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.135 -12.902 6.913 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.101 -12.065 5.731 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.677 -12.040 7.460 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.569 -9.595 5.155 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.926 -9.640 3.843 1.00 0.00 C ATOM 811 C CYS 1 60 -6.434 -11.048 3.505 1.00 0.00 C ATOM 812 O CYS 1 60 -6.276 -11.393 2.334 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.749 -8.668 3.782 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.115 -7.006 4.422 1.00 0.00 S ATOM 0 H CYS 1 60 -6.923 -9.603 5.945 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.678 -9.348 3.110 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.917 -9.087 4.348 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.418 -8.581 2.747 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.177 -11.850 4.534 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.684 -13.213 4.338 1.00 0.00 C ATOM 821 C ARG 1 61 -6.212 -14.156 5.417 1.00 0.00 C ATOM 822 O ARG 1 61 -6.985 -13.756 6.288 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.148 -13.229 4.338 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.546 -13.938 3.132 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.222 -14.627 3.461 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.463 -13.942 4.511 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.016 -12.692 4.415 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.207 -11.991 3.304 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.362 -12.145 5.431 1.00 0.00 N ATOM 0 H ARG 1 61 -6.301 -11.582 5.510 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.048 -13.562 3.372 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.782 -12.203 4.366 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.798 -13.717 5.248 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.254 -14.678 2.758 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.387 -13.216 2.331 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.421 -15.652 3.774 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.614 -14.682 2.558 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.265 -14.456 5.370 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.700 -12.410 2.515 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.861 -11.034 3.239 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.203 -12.682 6.283 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.018 -11.187 5.360 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.781 -15.411 5.353 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.193 -16.418 6.319 1.00 0.00 C ATOM 845 C ILE 1 62 -5.528 -17.753 6.014 1.00 0.00 C ATOM 846 O ILE 1 62 -5.486 -18.194 4.866 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.724 -16.596 6.344 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.124 -17.730 7.292 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.254 -16.856 4.943 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.724 -17.485 8.730 1.00 0.00 C ATOM 0 H ILE 1 62 -5.142 -15.755 4.636 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.876 -16.070 7.302 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.169 -15.672 6.714 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.204 -17.870 7.243 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.666 -18.658 6.949 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.336 -16.979 4.980 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.007 -16.013 4.298 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.799 -17.763 4.544 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.039 -18.329 9.344 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.641 -17.375 8.793 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.203 -16.575 9.091 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.002 -18.385 7.053 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.326 -19.667 6.905 1.00 0.00 C ATOM 864 C ALA 1 63 -5.265 -20.725 6.339 1.00 0.00 C ATOM 865 O ALA 1 63 -5.232 -21.018 5.144 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.740 -20.117 8.235 1.00 0.00 C ATOM 0 H ALA 1 63 -5.030 -18.031 8.009 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.509 -19.538 6.195 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.239 -21.076 8.106 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.021 -19.376 8.585 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.540 -20.221 8.968 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.102 -21.296 7.198 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.048 -22.322 6.768 1.00 0.00 C ATOM 874 C ARG 1 64 -8.042 -22.657 7.877 1.00 0.00 C ATOM 875 O ARG 1 64 -8.003 -23.744 8.454 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.297 -23.586 6.333 1.00 0.00 C ATOM 877 CG ARG 1 64 -6.264 -23.794 4.826 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.653 -23.701 4.218 1.00 0.00 C ATOM 879 NE ARG 1 64 -7.845 -24.666 3.138 1.00 0.00 N ATOM 880 CZ ARG 1 64 -8.107 -25.956 3.334 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -8.209 -26.440 4.566 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -8.267 -26.765 2.296 1.00 0.00 N ATOM 0 H ARG 1 64 -6.146 -21.068 8.191 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.608 -21.929 5.919 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.274 -23.536 6.706 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.764 -24.453 6.800 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -5.615 -23.047 4.369 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -5.833 -24.770 4.602 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -8.400 -23.872 4.993 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -7.815 -22.693 3.836 1.00 0.00 H new ATOM 0 HE ARG 1 64 -7.774 -24.331 2.177 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -8.086 -25.822 5.368 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -8.410 -27.430 4.710 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.189 -26.399 1.347 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -8.468 -27.754 2.446 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.937 -21.719 8.168 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.927 -21.941 9.203 1.00 0.00 C ATOM 898 C GLY 1 65 -10.301 -20.670 9.936 1.00 0.00 C ATOM 899 O GLY 1 65 -10.898 -19.762 9.358 1.00 0.00 O ATOM 0 H GLY 1 65 -8.994 -20.811 7.706 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.822 -22.375 8.757 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.542 -22.668 9.918 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.946 -20.607 11.213 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.243 -19.441 12.035 1.00 0.00 C ATOM 905 C ASP 1 66 -9.504 -19.518 13.367 1.00 0.00 C ATOM 906 O ASP 1 66 -10.056 -19.966 14.372 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.748 -19.328 12.278 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.441 -18.479 11.230 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.956 -17.361 10.956 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.469 -18.932 10.683 1.00 0.00 O ATOM 0 H ASP 1 66 -9.451 -21.352 11.703 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.905 -18.554 11.500 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.188 -20.325 12.283 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.923 -18.897 13.264 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.251 -19.083 13.360 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.420 -19.102 14.560 1.00 0.00 C ATOM 917 C TRP 1 67 -6.966 -17.693 14.915 1.00 0.00 C ATOM 918 O TRP 1 67 -7.398 -17.114 15.911 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.198 -20.004 14.340 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.056 -20.482 12.926 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.706 -19.740 11.833 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.272 -21.813 12.453 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.700 -20.528 10.712 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -6.040 -21.807 11.066 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.640 -23.008 13.070 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -6.165 -22.951 10.286 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.763 -24.147 12.296 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.525 -24.112 10.916 1.00 0.00 C ATOM 0 H TRP 1 67 -7.784 -18.711 12.533 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.012 -19.497 15.385 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.298 -19.459 14.623 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.269 -20.867 15.002 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.469 -18.687 11.850 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.478 -20.213 9.767 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.826 -23.043 14.133 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.985 -22.925 9.221 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -7.047 -25.079 12.763 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.627 -25.018 10.338 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.097 -17.151 14.077 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.573 -15.804 14.267 1.00 0.00 C ATOM 941 C ASN 1 68 -6.071 -14.882 13.166 1.00 0.00 C ATOM 942 O ASN 1 68 -6.247 -13.682 13.377 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.046 -15.809 14.259 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.456 -17.035 14.930 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.476 -18.161 14.226 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -2.988 -16.970 16.067 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.736 -17.627 13.250 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.925 -15.444 15.234 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.693 -15.760 13.229 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.682 -14.914 14.764 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.994 -16.083 16.571 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.595 -17.803 16.505 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.292 -15.454 11.986 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.767 -14.691 10.844 1.00 0.00 C ATOM 955 C ASP 1 69 -5.777 -13.614 10.446 1.00 0.00 C ATOM 956 O ASP 1 69 -4.815 -13.333 11.160 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.097 -14.030 11.169 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.279 -14.953 10.949 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.450 -15.900 11.745 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.035 -14.729 9.980 1.00 0.00 O ATOM 0 H ASP 1 69 -6.148 -16.446 11.799 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.885 -15.389 10.015 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.089 -13.698 12.207 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.216 -13.140 10.551 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.051 -12.991 9.311 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.224 -11.911 8.812 1.00 0.00 C ATOM 967 C ASP 1 70 -6.052 -10.649 8.742 1.00 0.00 C ATOM 968 O ASP 1 70 -7.061 -10.604 8.045 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.655 -12.252 7.438 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.659 -11.216 6.961 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.786 -10.043 7.367 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.754 -11.576 6.181 1.00 0.00 O ATOM 0 H ASP 1 70 -6.847 -13.219 8.716 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.384 -11.760 9.490 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.171 -13.228 7.478 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.470 -12.330 6.718 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.653 -9.637 9.496 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.412 -8.402 9.533 1.00 0.00 C ATOM 979 C TYR 1 71 -5.548 -7.163 9.416 1.00 0.00 C ATOM 980 O TYR 1 71 -4.454 -7.088 9.973 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.197 -8.337 10.829 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.394 -9.240 10.836 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.533 -8.882 10.146 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.387 -10.441 11.530 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.646 -9.686 10.140 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.493 -11.263 11.532 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.626 -10.882 10.835 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.737 -11.695 10.833 1.00 0.00 O ATOM 0 H TYR 1 71 -4.819 -9.647 10.083 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.075 -8.412 8.668 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.542 -8.605 11.658 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.522 -7.311 10.999 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.550 -7.951 9.599 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.503 -10.736 12.076 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.530 -9.387 9.597 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.476 -12.197 12.073 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.557 -12.496 11.368 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.078 -6.182 8.702 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.397 -4.915 8.516 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.338 -4.153 9.834 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.077 -4.464 10.771 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.127 -4.082 7.465 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.145 -2.700 6.804 1.00 0.00 S ATOM 0 H CYS 1 72 -6.985 -6.243 8.239 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.380 -5.108 8.175 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.421 -4.732 6.641 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.044 -3.687 7.902 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.460 -3.160 9.906 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.313 -2.361 11.117 1.00 0.00 C ATOM 1010 C THR 1 73 -4.562 -0.879 10.838 1.00 0.00 C ATOM 1011 O THR 1 73 -4.273 -0.025 11.676 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.915 -2.555 11.709 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.969 -1.740 11.041 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.427 -3.986 11.628 1.00 0.00 C ATOM 0 H THR 1 73 -3.840 -2.889 9.142 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.059 -2.700 11.836 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.004 -2.275 12.759 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.082 -1.877 11.435 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.431 -4.056 12.064 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.110 -4.635 12.177 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.389 -4.299 10.585 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.102 -0.579 9.658 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.382 0.798 9.293 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.195 1.718 9.508 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.364 2.920 9.712 1.00 0.00 O ATOM 0 H GLY 1 74 -5.351 -1.268 8.948 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.681 0.837 8.246 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.227 1.160 9.879 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.992 1.154 9.466 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.779 1.939 9.664 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.709 1.604 8.623 1.00 0.00 C ATOM 1032 O LYS 1 75 0.408 2.116 8.693 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.222 1.705 11.069 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.266 1.833 12.168 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.815 2.788 13.262 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.530 2.315 13.922 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.642 3.135 13.508 1.00 0.00 N ATOM 0 H LYS 1 75 -2.831 0.161 9.297 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.046 2.989 9.546 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.780 0.710 11.114 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.420 2.419 11.256 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.204 2.187 11.740 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.463 0.852 12.600 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.663 3.781 12.839 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -2.599 2.878 14.014 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.640 2.361 15.005 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.352 1.271 13.663 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 1.332 3.172 14.285 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.087 2.707 12.671 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.327 4.099 13.278 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.045 0.747 7.660 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.088 0.368 6.625 1.00 0.00 C ATOM 1053 C SER 1 76 -0.755 -0.422 5.503 1.00 0.00 C ATOM 1054 O SER 1 76 -1.929 -0.783 5.590 1.00 0.00 O ATOM 1055 CB SER 1 76 1.047 -0.457 7.234 1.00 0.00 C ATOM 1056 OG SER 1 76 2.192 -0.443 6.399 1.00 0.00 O ATOM 0 H SER 1 76 -1.961 0.307 7.576 1.00 0.00 H new ATOM 0 HA SER 1 76 0.316 1.286 6.197 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.304 -0.059 8.216 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.715 -1.484 7.384 1.00 0.00 H new ATOM 0 HG SER 1 76 2.904 -0.976 6.811 1.00 0.00 H new ATOM 1062 N SER 1 77 0.015 -0.691 4.452 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.473 -1.446 3.302 1.00 0.00 C ATOM 1064 C SER 1 77 -0.278 -2.945 3.510 1.00 0.00 C ATOM 1065 O SER 1 77 -0.412 -3.731 2.571 1.00 0.00 O ATOM 1066 CB SER 1 77 0.260 -1.004 2.034 1.00 0.00 C ATOM 1067 OG SER 1 77 1.545 -1.596 1.955 1.00 0.00 O ATOM 0 H SER 1 77 0.988 -0.394 4.374 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.539 -1.246 3.194 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.325 -1.280 1.157 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.355 0.082 2.025 1.00 0.00 H new ATOM 0 HG SER 1 77 1.992 -1.299 1.135 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.047 -3.337 4.739 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.271 -4.742 5.052 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.821 -5.291 5.963 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.312 -4.599 6.855 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.639 -4.926 5.711 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.740 -5.171 4.699 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.526 -5.981 3.772 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.818 -4.553 4.832 1.00 0.00 O ATOM 0 H ASP 1 78 0.160 -2.703 5.530 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.243 -5.299 4.116 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.879 -4.039 6.297 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.595 -5.765 6.406 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.189 -6.544 5.728 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.218 -7.210 6.518 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.642 -8.443 7.216 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.486 -9.496 6.597 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.384 -7.614 5.613 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.980 -6.884 6.097 1.00 0.00 S ATOM 0 H CYS 1 79 -0.787 -7.124 4.991 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.579 -6.519 7.280 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.156 -7.318 4.589 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.476 -8.700 5.618 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.307 -8.332 8.516 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.737 -9.448 9.284 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.730 -10.589 9.500 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.852 -10.370 9.954 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.364 -8.806 10.623 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.256 -7.618 10.736 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.445 -7.113 9.334 1.00 0.00 C ATOM 0 HA PRO 1 80 0.104 -9.905 8.762 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.520 -9.498 11.451 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.686 -8.516 10.644 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.211 -7.888 11.187 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.809 -6.853 11.370 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.422 -6.648 9.202 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.697 -6.365 9.071 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.301 -11.806 9.169 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.144 -12.996 9.321 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.877 -13.732 10.630 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.664 -14.579 11.052 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.953 -13.948 8.142 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.559 -14.479 7.978 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.603 -13.977 8.495 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.194 -15.630 7.223 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.667 -14.745 8.089 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.199 -15.769 7.307 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.922 -16.554 6.480 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.880 -16.799 6.670 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.249 -17.581 5.848 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.143 -17.696 5.945 1.00 0.00 C ATOM 0 H TRP 1 81 -0.372 -11.996 8.793 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.177 -12.649 9.342 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.635 -14.790 8.259 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.239 -13.431 7.226 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.674 -13.105 9.129 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.644 -14.580 8.330 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.996 -16.469 6.399 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.954 -16.889 6.744 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.804 -18.306 5.271 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.644 -18.507 5.438 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.770 -13.400 11.263 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.384 -14.015 12.528 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.190 -15.520 12.371 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.565 -16.299 13.248 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.442 -13.734 13.598 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.397 -12.302 14.094 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.494 -11.541 13.746 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.374 -11.928 14.911 1.00 0.00 N ATOM 0 H ASN 1 82 -0.112 -12.700 10.921 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.565 -13.578 12.839 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.431 -13.944 13.191 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.293 -14.412 14.439 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.397 -10.976 15.277 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.102 -12.592 15.173 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.399 -15.923 11.250 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.643 -17.335 10.979 1.00 0.00 C ATOM 1149 C HIS 1 83 2.078 -17.561 10.513 1.00 0.00 C ATOM 1150 O HIS 1 83 2.803 -18.326 11.183 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.336 -17.845 9.921 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.762 -17.511 10.228 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.681 -17.157 9.262 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.426 -17.475 11.406 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.846 -16.915 9.835 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.716 -17.102 11.135 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.464 -16.972 9.482 1.00 0.00 O ATOM 0 H HIS 1 83 0.716 -15.292 10.514 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.491 -17.890 11.905 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -0.070 -17.419 8.954 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -0.234 -18.927 9.832 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.491 -17.092 8.262 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.015 -17.699 12.379 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -4.751 -16.615 9.327 1.00 0.00 H new TER 1166 HIS 1 83