USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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: A 37 THR OG1 : rot -130:sc= 0.904 USER MOD Set 1.2: A 45 GLN : amide:sc= 0.802 K(o=1.7,f=0.59) USER MOD Set 2.1: A 12 HIS : no HE2:sc= -4.71! C(o=-25!,f=-26!) USER MOD Set 2.2: A 72 SER OG : rot 70:sc= -0.561 USER MOD Set 2.3: A 109 THR OG1 : rot 180:sc= -0.128 USER MOD Set 2.4: A 111 SER OG : rot 180:sc= -0.474 USER MOD Set 2.5: A 114 HIS : no HE2:sc= -18.7! C(o=-25!,f=-36!) USER MOD Single : A 7 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.21) USER MOD Single : A 9 LYS NZ :NH3+ -136:sc= -1.44 (180deg=-3.75!) USER MOD Single : A 11 SER OG : rot 150:sc= -4.25! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -8.13! C(o=-8.1!,f=-8.9!) USER MOD Single : A 18 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.538 (180deg=-1.96!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -22:sc= -0.224! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.42! C(o=-2.4!,f=-9.1!) USER MOD Single : A 65 THR OG1 : rot -119:sc= -2.54! USER MOD Single : A 68 SER OG : rot -24:sc= -7.3! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -18:sc= 0.561! USER MOD Single : A 86 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.5!) USER MOD Single : A 87 MET CE :methyl -167:sc= -16.2! (180deg=-17.1!) USER MOD Single : A 88 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 102:sc= 0.29 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 160:sc= -1.09 USER MOD Single : A 117 LYS NZ :NH3+ 175:sc= -1.52 (180deg=-1.58) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.424 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.151 6.679 1.663 1.00 0.00 N ATOM 93 CA GLN A 7 16.664 6.789 1.610 1.00 0.00 C ATOM 94 C GLN A 7 16.064 5.496 1.050 1.00 0.00 C ATOM 95 O GLN A 7 16.734 4.726 0.389 1.00 0.00 O ATOM 96 CB GLN A 7 16.385 7.963 0.672 1.00 0.00 C ATOM 97 CG GLN A 7 15.233 8.802 1.230 1.00 0.00 C ATOM 98 CD GLN A 7 15.709 10.238 1.455 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.299 10.839 0.580 1.00 0.00 O ATOM 100 NE2 GLN A 7 15.476 10.818 2.601 1.00 0.00 N ATOM 0 HA GLN A 7 16.223 6.945 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.279 8.578 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.132 7.595 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.392 8.791 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.879 8.374 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.981 10.314 3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.789 11.775 2.761 1.00 0.00 H new ATOM 109 N VAL A 8 14.810 5.246 1.313 1.00 0.00 N ATOM 110 CA VAL A 8 14.175 3.994 0.795 1.00 0.00 C ATOM 111 C VAL A 8 13.090 4.318 -0.239 1.00 0.00 C ATOM 112 O VAL A 8 11.956 4.589 0.106 1.00 0.00 O ATOM 113 CB VAL A 8 13.556 3.316 2.025 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.864 4.360 2.898 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.518 2.280 1.580 1.00 0.00 C ATOM 0 H VAL A 8 14.198 5.850 1.861 1.00 0.00 H new ATOM 0 HA VAL A 8 14.901 3.353 0.295 1.00 0.00 H new ATOM 0 HB VAL A 8 14.348 2.826 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.426 3.873 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.593 5.102 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.078 4.851 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.082 1.802 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.733 2.774 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.000 1.526 0.958 1.00 0.00 H new ATOM 125 N LYS A 9 13.418 4.271 -1.504 1.00 0.00 N ATOM 126 CA LYS A 9 12.385 4.554 -2.541 1.00 0.00 C ATOM 127 C LYS A 9 11.443 3.350 -2.652 1.00 0.00 C ATOM 128 O LYS A 9 11.802 2.247 -2.289 1.00 0.00 O ATOM 129 CB LYS A 9 13.154 4.755 -3.849 1.00 0.00 C ATOM 130 CG LYS A 9 13.951 6.062 -3.784 1.00 0.00 C ATOM 131 CD LYS A 9 13.738 6.911 -5.051 1.00 0.00 C ATOM 132 CE LYS A 9 13.597 6.023 -6.291 1.00 0.00 C ATOM 133 NZ LYS A 9 14.728 5.056 -6.210 1.00 0.00 N ATOM 0 H LYS A 9 14.348 4.051 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 9 11.782 5.430 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.828 3.915 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.460 4.782 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.647 6.632 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.011 5.838 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.845 7.525 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.578 7.593 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.637 5.507 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.648 6.613 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.172 4.962 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.432 5.401 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.371 4.129 -5.901 1.00 0.00 H new ATOM 147 N ALA A 10 10.244 3.535 -3.141 1.00 0.00 N ATOM 148 CA ALA A 10 9.318 2.364 -3.247 1.00 0.00 C ATOM 149 C ALA A 10 7.948 2.768 -3.798 1.00 0.00 C ATOM 150 O ALA A 10 7.641 3.933 -3.957 1.00 0.00 O ATOM 151 CB ALA A 10 9.162 1.857 -1.813 1.00 0.00 C ATOM 0 H ALA A 10 9.870 4.426 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 10 9.716 1.613 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.495 0.995 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.137 1.566 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.743 2.648 -1.191 1.00 0.00 H new ATOM 157 N SER A 11 7.117 1.793 -4.069 1.00 0.00 N ATOM 158 CA SER A 11 5.750 2.082 -4.587 1.00 0.00 C ATOM 159 C SER A 11 4.722 1.409 -3.678 1.00 0.00 C ATOM 160 O SER A 11 5.075 0.858 -2.654 1.00 0.00 O ATOM 161 CB SER A 11 5.711 1.474 -5.989 1.00 0.00 C ATOM 162 OG SER A 11 5.319 0.111 -5.901 1.00 0.00 O ATOM 0 H SER A 11 7.331 0.803 -3.952 1.00 0.00 H new ATOM 0 HA SER A 11 5.524 3.148 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.011 2.025 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.691 1.552 -6.459 1.00 0.00 H new ATOM 0 HG SER A 11 4.841 -0.145 -6.717 1.00 0.00 H new ATOM 168 N HIS A 12 3.456 1.436 -4.014 1.00 0.00 N ATOM 169 CA HIS A 12 2.480 0.773 -3.092 1.00 0.00 C ATOM 170 C HIS A 12 1.032 0.841 -3.617 1.00 0.00 C ATOM 171 O HIS A 12 0.736 1.498 -4.595 1.00 0.00 O ATOM 172 CB HIS A 12 2.654 1.544 -1.764 1.00 0.00 C ATOM 173 CG HIS A 12 1.424 2.353 -1.430 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.204 3.617 -1.955 1.00 0.00 N ATOM 175 CD2 HIS A 12 0.343 2.087 -0.628 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.031 4.059 -1.467 1.00 0.00 C ATOM 177 NE2 HIS A 12 -0.536 3.165 -0.653 1.00 0.00 N ATOM 0 H HIS A 12 3.066 1.869 -4.851 1.00 0.00 H new ATOM 0 HA HIS A 12 2.669 -0.295 -2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.858 0.840 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.517 2.205 -1.836 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.819 4.120 -2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.197 1.178 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.400 5.020 -1.705 1.00 0.00 H new ATOM 185 N ILE A 13 0.135 0.160 -2.942 1.00 0.00 N ATOM 186 CA ILE A 13 -1.307 0.160 -3.348 1.00 0.00 C ATOM 187 C ILE A 13 -2.200 0.023 -2.100 1.00 0.00 C ATOM 188 O ILE A 13 -1.718 -0.226 -1.013 1.00 0.00 O ATOM 189 CB ILE A 13 -1.476 -1.063 -4.257 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.816 -0.788 -5.618 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.966 -1.335 -4.460 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.434 -1.689 -6.700 1.00 0.00 C ATOM 0 H ILE A 13 0.344 -0.402 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.591 1.082 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.003 -1.930 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.947 0.260 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.257 -0.969 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.093 -2.204 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.435 -1.528 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.434 -0.467 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.958 -1.485 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.280 -2.735 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.503 -1.487 -6.775 1.00 0.00 H new ATOM 204 N LEU A 14 -3.495 0.175 -2.246 1.00 0.00 N ATOM 205 CA LEU A 14 -4.406 0.043 -1.061 1.00 0.00 C ATOM 206 C LEU A 14 -5.648 -0.789 -1.416 1.00 0.00 C ATOM 207 O LEU A 14 -6.078 -0.828 -2.549 1.00 0.00 O ATOM 208 CB LEU A 14 -4.821 1.474 -0.709 1.00 0.00 C ATOM 209 CG LEU A 14 -5.855 1.435 0.422 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.139 1.245 1.761 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.656 2.744 0.446 1.00 0.00 C ATOM 0 H LEU A 14 -3.960 0.384 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.911 -0.462 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.950 2.053 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.240 1.970 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.539 0.603 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.874 1.217 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.582 0.308 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.451 2.074 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.388 2.708 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.978 3.582 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.171 2.873 -0.506 1.00 0.00 H new ATOM 223 N ILE A 15 -6.241 -1.444 -0.452 1.00 0.00 N ATOM 224 CA ILE A 15 -7.464 -2.253 -0.744 1.00 0.00 C ATOM 225 C ILE A 15 -8.614 -1.822 0.182 1.00 0.00 C ATOM 226 O ILE A 15 -9.753 -2.198 -0.014 1.00 0.00 O ATOM 227 CB ILE A 15 -7.050 -3.719 -0.502 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.718 -4.365 -1.859 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.186 -4.494 0.188 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.948 -5.882 -1.810 1.00 0.00 C ATOM 0 H ILE A 15 -5.934 -1.455 0.521 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.826 -2.115 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.177 -3.749 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.338 -3.923 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.681 -4.158 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.876 -5.526 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.414 -4.028 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.074 -4.477 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.707 -6.318 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.308 -6.322 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.992 -6.084 -1.570 1.00 0.00 H new ATOM 242 N LYS A 16 -8.326 -1.035 1.186 1.00 0.00 N ATOM 243 CA LYS A 16 -9.402 -0.579 2.120 1.00 0.00 C ATOM 244 C LYS A 16 -9.895 -1.741 2.991 1.00 0.00 C ATOM 245 O LYS A 16 -9.756 -2.896 2.641 1.00 0.00 O ATOM 246 CB LYS A 16 -10.527 -0.069 1.217 1.00 0.00 C ATOM 247 CG LYS A 16 -11.162 1.172 1.848 1.00 0.00 C ATOM 248 CD LYS A 16 -12.686 1.083 1.733 1.00 0.00 C ATOM 249 CE LYS A 16 -13.079 0.910 0.265 1.00 0.00 C ATOM 250 NZ LYS A 16 -14.083 -0.190 0.263 1.00 0.00 N ATOM 0 H LYS A 16 -7.391 -0.687 1.401 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.045 0.192 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.134 0.172 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.279 -0.846 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.870 1.250 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.801 2.071 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.057 0.243 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.145 1.984 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.500 1.829 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.214 0.656 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.401 -0.368 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.652 -1.054 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.898 0.083 0.849 1.00 0.00 H new ATOM 264 N HIS A 17 -10.476 -1.436 4.124 1.00 0.00 N ATOM 265 CA HIS A 17 -10.987 -2.512 5.028 1.00 0.00 C ATOM 266 C HIS A 17 -11.624 -1.898 6.278 1.00 0.00 C ATOM 267 O HIS A 17 -12.227 -0.845 6.226 1.00 0.00 O ATOM 268 CB HIS A 17 -9.760 -3.342 5.412 1.00 0.00 C ATOM 269 CG HIS A 17 -8.802 -2.505 6.221 1.00 0.00 C ATOM 270 ND1 HIS A 17 -8.933 -1.130 6.346 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.687 -2.839 6.951 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.923 -0.694 7.121 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.135 -1.695 7.516 1.00 0.00 N ATOM 0 H HIS A 17 -10.619 -0.485 4.463 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.751 -3.119 4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.067 -4.215 5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.264 -3.710 4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.298 -3.840 7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.769 0.341 7.390 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.305 -1.634 8.106 1.00 0.00 H new ATOM 281 N GLN A 18 -11.494 -2.551 7.402 1.00 0.00 N ATOM 282 CA GLN A 18 -12.092 -2.007 8.656 1.00 0.00 C ATOM 283 C GLN A 18 -11.114 -1.046 9.339 1.00 0.00 C ATOM 284 O GLN A 18 -10.802 -1.187 10.505 1.00 0.00 O ATOM 285 CB GLN A 18 -12.343 -3.230 9.539 1.00 0.00 C ATOM 286 CG GLN A 18 -13.797 -3.680 9.388 1.00 0.00 C ATOM 287 CD GLN A 18 -14.599 -3.236 10.613 1.00 0.00 C ATOM 288 OE1 GLN A 18 -14.115 -3.296 11.725 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.815 -2.788 10.454 1.00 0.00 N ATOM 0 H GLN A 18 -11.000 -3.437 7.506 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.007 -1.446 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.670 -4.039 9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.132 -2.989 10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.229 -3.253 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.844 -4.764 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.222 -2.737 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.358 -2.489 11.264 1.00 0.00 H new ATOM 298 N GLY A 19 -10.629 -0.069 8.622 1.00 0.00 N ATOM 299 CA GLY A 19 -9.675 0.901 9.231 1.00 0.00 C ATOM 300 C GLY A 19 -10.451 2.106 9.768 1.00 0.00 C ATOM 301 O GLY A 19 -11.269 1.982 10.657 1.00 0.00 O ATOM 0 H GLY A 19 -10.852 0.099 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.119 0.424 10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.945 1.225 8.489 1.00 0.00 H new ATOM 594 N THR A 37 -14.937 -5.044 3.673 1.00 0.00 N ATOM 595 CA THR A 37 -13.705 -5.826 3.992 1.00 0.00 C ATOM 596 C THR A 37 -13.244 -5.512 5.418 1.00 0.00 C ATOM 597 O THR A 37 -13.192 -4.368 5.825 1.00 0.00 O ATOM 598 CB THR A 37 -12.667 -5.357 2.971 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.946 -5.950 1.710 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.269 -5.769 3.432 1.00 0.00 C ATOM 0 HA THR A 37 -13.866 -6.903 3.940 1.00 0.00 H new ATOM 0 HB THR A 37 -12.710 -4.272 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.129 -6.356 1.352 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.532 -5.434 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.056 -5.314 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.221 -6.854 3.523 1.00 0.00 H new ATOM 608 N THR A 38 -12.925 -6.516 6.190 1.00 0.00 N ATOM 609 CA THR A 38 -12.491 -6.259 7.594 1.00 0.00 C ATOM 610 C THR A 38 -10.993 -6.524 7.765 1.00 0.00 C ATOM 611 O THR A 38 -10.320 -6.979 6.862 1.00 0.00 O ATOM 612 CB THR A 38 -13.308 -7.235 8.446 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.765 -8.542 8.315 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.765 -7.237 7.976 1.00 0.00 C ATOM 0 H THR A 38 -12.946 -7.497 5.912 1.00 0.00 H new ATOM 0 HA THR A 38 -12.654 -5.221 7.883 1.00 0.00 H new ATOM 0 HB THR A 38 -13.268 -6.925 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.285 -9.168 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.343 -7.933 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.181 -6.235 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.810 -7.545 6.931 1.00 0.00 H new ATOM 622 N ARG A 39 -10.471 -6.235 8.929 1.00 0.00 N ATOM 623 CA ARG A 39 -9.018 -6.457 9.183 1.00 0.00 C ATOM 624 C ARG A 39 -8.585 -7.828 8.662 1.00 0.00 C ATOM 625 O ARG A 39 -7.907 -7.937 7.660 1.00 0.00 O ATOM 626 CB ARG A 39 -8.871 -6.390 10.704 1.00 0.00 C ATOM 627 CG ARG A 39 -7.950 -5.227 11.078 1.00 0.00 C ATOM 628 CD ARG A 39 -6.539 -5.758 11.341 1.00 0.00 C ATOM 629 NE ARG A 39 -5.705 -4.541 11.545 1.00 0.00 N ATOM 630 CZ ARG A 39 -4.511 -4.646 12.061 1.00 0.00 C ATOM 631 NH1 ARG A 39 -3.882 -5.789 12.023 1.00 0.00 N ATOM 632 NH2 ARG A 39 -3.946 -3.609 12.615 1.00 0.00 N ATOM 0 H ARG A 39 -10.992 -5.853 9.718 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.395 -5.720 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.848 -6.258 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.462 -7.327 11.082 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.929 -4.492 10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.330 -4.719 11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.517 -6.404 12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.176 -6.350 10.500 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.067 -3.625 11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.324 -6.600 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.949 -5.871 12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.437 -2.716 12.645 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.013 -3.691 13.018 1.00 0.00 H new ATOM 646 N GLU A 40 -8.971 -8.873 9.333 1.00 0.00 N ATOM 647 CA GLU A 40 -8.584 -10.236 8.878 1.00 0.00 C ATOM 648 C GLU A 40 -8.889 -10.389 7.388 1.00 0.00 C ATOM 649 O GLU A 40 -8.020 -10.675 6.589 1.00 0.00 O ATOM 650 CB GLU A 40 -9.456 -11.179 9.703 1.00 0.00 C ATOM 651 CG GLU A 40 -9.066 -12.629 9.412 1.00 0.00 C ATOM 652 CD GLU A 40 -10.325 -13.450 9.123 1.00 0.00 C ATOM 653 OE1 GLU A 40 -10.854 -13.321 8.032 1.00 0.00 O ATOM 654 OE2 GLU A 40 -10.738 -14.193 9.999 1.00 0.00 O ATOM 0 H GLU A 40 -9.539 -8.843 10.179 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.522 -10.440 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.335 -10.966 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.508 -11.020 9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.389 -12.670 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.532 -13.051 10.263 1.00 0.00 H new ATOM 661 N ALA A 41 -10.121 -10.196 7.012 1.00 0.00 N ATOM 662 CA ALA A 41 -10.496 -10.323 5.574 1.00 0.00 C ATOM 663 C ALA A 41 -9.494 -9.571 4.698 1.00 0.00 C ATOM 664 O ALA A 41 -9.051 -10.063 3.679 1.00 0.00 O ATOM 665 CB ALA A 41 -11.882 -9.687 5.468 1.00 0.00 C ATOM 0 H ALA A 41 -10.888 -9.955 7.639 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.496 -11.360 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.229 -9.741 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.578 -10.222 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.828 -8.644 5.779 1.00 0.00 H new ATOM 671 N ALA A 42 -9.133 -8.382 5.088 1.00 0.00 N ATOM 672 CA ALA A 42 -8.157 -7.598 4.280 1.00 0.00 C ATOM 673 C ALA A 42 -6.944 -8.464 3.946 1.00 0.00 C ATOM 674 O ALA A 42 -6.610 -8.664 2.795 1.00 0.00 O ATOM 675 CB ALA A 42 -7.754 -6.421 5.169 1.00 0.00 C ATOM 0 H ALA A 42 -9.471 -7.918 5.931 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.578 -7.260 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.034 -5.796 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.637 -5.831 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.303 -6.797 6.088 1.00 0.00 H new ATOM 681 N VAL A 43 -6.287 -8.985 4.942 1.00 0.00 N ATOM 682 CA VAL A 43 -5.100 -9.846 4.677 1.00 0.00 C ATOM 683 C VAL A 43 -5.490 -10.971 3.714 1.00 0.00 C ATOM 684 O VAL A 43 -4.814 -11.234 2.741 1.00 0.00 O ATOM 685 CB VAL A 43 -4.673 -10.378 6.059 1.00 0.00 C ATOM 686 CG1 VAL A 43 -5.159 -11.819 6.272 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.146 -10.338 6.160 1.00 0.00 C ATOM 0 H VAL A 43 -6.519 -8.853 5.927 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.276 -9.312 4.203 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.122 -9.748 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.843 -12.168 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.247 -11.849 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.733 -12.464 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.836 -10.713 7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.713 -10.961 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.800 -9.311 6.039 1.00 0.00 H new ATOM 697 N GLU A 44 -6.588 -11.623 3.973 1.00 0.00 N ATOM 698 CA GLU A 44 -7.031 -12.713 3.061 1.00 0.00 C ATOM 699 C GLU A 44 -7.188 -12.148 1.652 1.00 0.00 C ATOM 700 O GLU A 44 -6.741 -12.724 0.679 1.00 0.00 O ATOM 701 CB GLU A 44 -8.379 -13.176 3.612 1.00 0.00 C ATOM 702 CG GLU A 44 -8.291 -14.654 3.998 1.00 0.00 C ATOM 703 CD GLU A 44 -8.527 -15.520 2.760 1.00 0.00 C ATOM 704 OE1 GLU A 44 -7.572 -15.761 2.039 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.658 -15.928 2.553 1.00 0.00 O ATOM 0 H GLU A 44 -7.196 -11.449 4.773 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.321 -13.539 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.654 -12.578 4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.159 -13.030 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.312 -14.871 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.032 -14.886 4.763 1.00 0.00 H new ATOM 712 N GLN A 45 -7.805 -11.005 1.545 1.00 0.00 N ATOM 713 CA GLN A 45 -7.980 -10.371 0.210 1.00 0.00 C ATOM 714 C GLN A 45 -6.613 -9.978 -0.340 1.00 0.00 C ATOM 715 O GLN A 45 -6.230 -10.358 -1.429 1.00 0.00 O ATOM 716 CB GLN A 45 -8.825 -9.125 0.468 1.00 0.00 C ATOM 717 CG GLN A 45 -9.160 -8.454 -0.865 1.00 0.00 C ATOM 718 CD GLN A 45 -10.510 -7.743 -0.760 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.873 -7.255 0.293 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.273 -7.662 -1.815 1.00 0.00 N ATOM 0 H GLN A 45 -8.197 -10.481 2.328 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.453 -11.035 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.742 -9.396 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.283 -8.431 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.381 -7.739 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.191 -9.199 -1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.968 -8.072 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.175 -7.189 -1.757 1.00 0.00 H new ATOM 729 N LEU A 46 -5.872 -9.226 0.421 1.00 0.00 N ATOM 730 CA LEU A 46 -4.517 -8.808 -0.035 1.00 0.00 C ATOM 731 C LEU A 46 -3.660 -10.049 -0.289 1.00 0.00 C ATOM 732 O LEU A 46 -2.746 -10.035 -1.087 1.00 0.00 O ATOM 733 CB LEU A 46 -3.942 -7.980 1.116 1.00 0.00 C ATOM 734 CG LEU A 46 -3.571 -6.586 0.607 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.823 -5.708 0.559 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.546 -5.954 1.550 1.00 0.00 C ATOM 0 H LEU A 46 -6.145 -8.881 1.341 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.545 -8.236 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.672 -7.902 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.062 -8.474 1.529 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.145 -6.669 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.557 -4.715 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.556 -6.156 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.249 -5.627 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.282 -4.961 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.973 -5.873 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.652 -6.577 1.586 1.00 0.00 H new ATOM 748 N LYS A 47 -3.958 -11.129 0.379 1.00 0.00 N ATOM 749 CA LYS A 47 -3.168 -12.375 0.167 1.00 0.00 C ATOM 750 C LYS A 47 -3.255 -12.794 -1.301 1.00 0.00 C ATOM 751 O LYS A 47 -2.265 -13.111 -1.930 1.00 0.00 O ATOM 752 CB LYS A 47 -3.828 -13.423 1.066 1.00 0.00 C ATOM 753 CG LYS A 47 -2.819 -13.918 2.105 1.00 0.00 C ATOM 754 CD LYS A 47 -3.486 -13.959 3.482 1.00 0.00 C ATOM 755 CE LYS A 47 -2.467 -14.402 4.534 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.234 -13.624 4.231 1.00 0.00 N ATOM 0 H LYS A 47 -4.713 -11.203 1.061 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.112 -12.248 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.697 -12.994 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.186 -14.259 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.458 -14.910 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.951 -13.259 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.881 -12.975 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.331 -14.647 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.826 -14.195 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.281 -15.474 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.637 -13.575 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.708 -14.091 3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.495 -12.662 3.935 1.00 0.00 H new ATOM 770 N SER A 48 -4.436 -12.789 -1.849 1.00 0.00 N ATOM 771 CA SER A 48 -4.598 -13.177 -3.279 1.00 0.00 C ATOM 772 C SER A 48 -3.895 -12.162 -4.179 1.00 0.00 C ATOM 773 O SER A 48 -3.291 -12.517 -5.172 1.00 0.00 O ATOM 774 CB SER A 48 -6.106 -13.163 -3.524 1.00 0.00 C ATOM 775 OG SER A 48 -6.633 -14.461 -3.280 1.00 0.00 O ATOM 0 H SER A 48 -5.299 -12.533 -1.369 1.00 0.00 H new ATOM 0 HA SER A 48 -4.162 -14.151 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.586 -12.434 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.317 -12.859 -4.549 1.00 0.00 H new ATOM 0 HG SER A 48 -7.601 -14.456 -3.435 1.00 0.00 H new ATOM 781 N ILE A 49 -3.956 -10.903 -3.842 1.00 0.00 N ATOM 782 CA ILE A 49 -3.274 -9.886 -4.690 1.00 0.00 C ATOM 783 C ILE A 49 -1.787 -10.234 -4.785 1.00 0.00 C ATOM 784 O ILE A 49 -1.223 -10.300 -5.859 1.00 0.00 O ATOM 785 CB ILE A 49 -3.531 -8.530 -4.002 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.955 -7.511 -5.063 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.273 -8.016 -3.292 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.973 -7.558 -6.234 1.00 0.00 C ATOM 0 H ILE A 49 -4.444 -10.537 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.647 -9.853 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.314 -8.664 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.964 -7.731 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.977 -6.510 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.488 -7.059 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.964 -8.735 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.471 -7.888 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.274 -6.833 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.971 -7.317 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.973 -8.557 -6.669 1.00 0.00 H new ATOM 800 N ARG A 50 -1.156 -10.495 -3.675 1.00 0.00 N ATOM 801 CA ARG A 50 0.281 -10.879 -3.723 1.00 0.00 C ATOM 802 C ARG A 50 0.408 -12.100 -4.630 1.00 0.00 C ATOM 803 O ARG A 50 1.232 -12.153 -5.522 1.00 0.00 O ATOM 804 CB ARG A 50 0.656 -11.229 -2.284 1.00 0.00 C ATOM 805 CG ARG A 50 2.158 -11.502 -2.201 1.00 0.00 C ATOM 806 CD ARG A 50 2.559 -11.692 -0.737 1.00 0.00 C ATOM 807 NE ARG A 50 3.607 -12.749 -0.762 1.00 0.00 N ATOM 808 CZ ARG A 50 4.229 -13.072 0.337 1.00 0.00 C ATOM 809 NH1 ARG A 50 3.549 -13.456 1.383 1.00 0.00 N ATOM 810 NH2 ARG A 50 5.531 -13.009 0.393 1.00 0.00 N ATOM 0 H ARG A 50 -1.569 -10.459 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 50 0.930 -10.093 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.387 -10.410 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.097 -12.105 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.409 -12.393 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.714 -10.672 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.942 -10.766 -0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.706 -11.995 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 50 3.838 -13.219 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.531 -13.503 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.036 -13.709 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.063 -12.707 -0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.017 -13.262 1.253 1.00 0.00 H new ATOM 824 N GLU A 51 -0.442 -13.066 -4.421 1.00 0.00 N ATOM 825 CA GLU A 51 -0.434 -14.281 -5.277 1.00 0.00 C ATOM 826 C GLU A 51 -0.632 -13.848 -6.727 1.00 0.00 C ATOM 827 O GLU A 51 0.201 -14.062 -7.583 1.00 0.00 O ATOM 828 CB GLU A 51 -1.636 -15.085 -4.769 1.00 0.00 C ATOM 829 CG GLU A 51 -2.223 -15.959 -5.880 1.00 0.00 C ATOM 830 CD GLU A 51 -1.095 -16.612 -6.683 1.00 0.00 C ATOM 831 OE1 GLU A 51 -0.016 -16.766 -6.134 1.00 0.00 O ATOM 832 OE2 GLU A 51 -1.330 -16.949 -7.831 1.00 0.00 O ATOM 0 H GLU A 51 -1.149 -13.064 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 51 0.489 -14.860 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.330 -15.712 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.401 -14.404 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.865 -16.727 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.847 -15.354 -6.539 1.00 0.00 H new ATOM 839 N ASP A 52 -1.736 -13.219 -6.991 1.00 0.00 N ATOM 840 CA ASP A 52 -2.007 -12.735 -8.374 1.00 0.00 C ATOM 841 C ASP A 52 -0.736 -12.100 -8.946 1.00 0.00 C ATOM 842 O ASP A 52 -0.277 -12.457 -10.013 1.00 0.00 O ATOM 843 CB ASP A 52 -3.108 -11.685 -8.217 1.00 0.00 C ATOM 844 CG ASP A 52 -4.433 -12.249 -8.732 1.00 0.00 C ATOM 845 OD1 ASP A 52 -4.790 -13.340 -8.318 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.068 -11.581 -9.531 1.00 0.00 O ATOM 0 H ASP A 52 -2.467 -13.016 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.308 -13.535 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.205 -11.400 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.846 -10.783 -8.770 1.00 0.00 H new ATOM 851 N ILE A 53 -0.157 -11.170 -8.233 1.00 0.00 N ATOM 852 CA ILE A 53 1.094 -10.523 -8.722 1.00 0.00 C ATOM 853 C ILE A 53 2.231 -11.544 -8.703 1.00 0.00 C ATOM 854 O ILE A 53 3.208 -11.423 -9.415 1.00 0.00 O ATOM 855 CB ILE A 53 1.372 -9.391 -7.735 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.186 -8.423 -7.727 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.637 -8.643 -8.159 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.513 -7.219 -6.842 1.00 0.00 C ATOM 0 H ILE A 53 -0.497 -10.831 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 53 1.004 -10.150 -9.742 1.00 0.00 H new ATOM 0 HB ILE A 53 1.513 -9.805 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.033 -8.092 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.706 -8.928 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.835 -7.835 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.481 -9.332 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.497 -8.228 -9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.332 -6.531 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.711 -7.558 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.394 -6.709 -7.232 1.00 0.00 H new ATOM 870 N VAL A 54 2.098 -12.557 -7.892 1.00 0.00 N ATOM 871 CA VAL A 54 3.152 -13.606 -7.815 1.00 0.00 C ATOM 872 C VAL A 54 3.029 -14.544 -9.021 1.00 0.00 C ATOM 873 O VAL A 54 4.002 -15.098 -9.494 1.00 0.00 O ATOM 874 CB VAL A 54 2.861 -14.345 -6.501 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.354 -15.792 -6.579 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.567 -13.629 -5.350 1.00 0.00 C ATOM 0 H VAL A 54 1.299 -12.704 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 54 4.165 -13.203 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 54 1.784 -14.350 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.140 -16.301 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.845 -16.306 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.429 -15.801 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.362 -14.152 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.642 -13.619 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.202 -12.604 -5.280 1.00 0.00 H new ATOM 886 N SER A 55 1.837 -14.724 -9.519 1.00 0.00 N ATOM 887 CA SER A 55 1.644 -15.623 -10.692 1.00 0.00 C ATOM 888 C SER A 55 2.068 -14.911 -11.978 1.00 0.00 C ATOM 889 O SER A 55 3.127 -15.161 -12.519 1.00 0.00 O ATOM 890 CB SER A 55 0.147 -15.926 -10.714 1.00 0.00 C ATOM 891 OG SER A 55 -0.580 -14.704 -10.690 1.00 0.00 O ATOM 0 H SER A 55 0.987 -14.287 -9.164 1.00 0.00 H new ATOM 0 HA SER A 55 2.242 -16.531 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.107 -16.496 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.124 -16.541 -9.856 1.00 0.00 H new ATOM 0 HG SER A 55 -0.017 -13.996 -10.313 1.00 0.00 H new ATOM 897 N GLY A 56 1.251 -14.024 -12.469 1.00 0.00 N ATOM 898 CA GLY A 56 1.604 -13.291 -13.718 1.00 0.00 C ATOM 899 C GLY A 56 1.651 -11.790 -13.435 1.00 0.00 C ATOM 900 O GLY A 56 1.004 -11.018 -14.110 1.00 0.00 O ATOM 0 H GLY A 56 0.351 -13.773 -12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.570 -13.631 -14.091 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.870 -13.502 -14.495 1.00 0.00 H new ATOM 904 N LYS A 57 2.427 -11.401 -12.444 1.00 0.00 N ATOM 905 CA LYS A 57 2.592 -9.970 -12.043 1.00 0.00 C ATOM 906 C LYS A 57 1.866 -9.020 -12.990 1.00 0.00 C ATOM 907 O LYS A 57 2.467 -8.304 -13.765 1.00 0.00 O ATOM 908 CB LYS A 57 4.099 -9.766 -12.093 1.00 0.00 C ATOM 909 CG LYS A 57 4.433 -8.277 -12.061 1.00 0.00 C ATOM 910 CD LYS A 57 5.834 -8.099 -11.480 1.00 0.00 C ATOM 911 CE LYS A 57 6.126 -6.609 -11.277 1.00 0.00 C ATOM 912 NZ LYS A 57 7.197 -6.287 -12.261 1.00 0.00 N ATOM 0 H LYS A 57 2.973 -12.050 -11.877 1.00 0.00 H new ATOM 0 HA LYS A 57 2.163 -9.757 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.569 -10.269 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.504 -10.217 -12.999 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.385 -7.858 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.703 -7.739 -11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.913 -8.627 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.574 -8.536 -12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.235 -6.005 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.453 -6.407 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.451 -5.282 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.035 -6.872 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.855 -6.483 -13.223 1.00 0.00 H new ATOM 926 N ALA A 58 0.569 -9.030 -12.928 1.00 0.00 N ATOM 927 CA ALA A 58 -0.240 -8.152 -13.812 1.00 0.00 C ATOM 928 C ALA A 58 0.284 -6.714 -13.778 1.00 0.00 C ATOM 929 O ALA A 58 1.268 -6.413 -13.131 1.00 0.00 O ATOM 930 CB ALA A 58 -1.645 -8.231 -13.227 1.00 0.00 C ATOM 0 H ALA A 58 0.027 -9.617 -12.294 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.203 -8.461 -14.857 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.320 -7.610 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.990 -9.265 -13.248 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.631 -7.875 -12.197 1.00 0.00 H new ATOM 936 N ASN A 59 -0.368 -5.825 -14.479 1.00 0.00 N ATOM 937 CA ASN A 59 0.084 -4.404 -14.504 1.00 0.00 C ATOM 938 C ASN A 59 0.531 -3.949 -13.108 1.00 0.00 C ATOM 939 O ASN A 59 1.691 -4.064 -12.774 1.00 0.00 O ATOM 940 CB ASN A 59 -1.129 -3.590 -14.983 1.00 0.00 C ATOM 941 CG ASN A 59 -2.434 -4.219 -14.480 1.00 0.00 C ATOM 942 OD1 ASN A 59 -2.440 -4.930 -13.494 1.00 0.00 O ATOM 943 ND2 ASN A 59 -3.545 -3.987 -15.124 1.00 0.00 N ATOM 0 H ASN A 59 -1.198 -6.023 -15.038 1.00 0.00 H new ATOM 0 HA ASN A 59 0.942 -4.268 -15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.051 -2.564 -14.622 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.137 -3.545 -16.072 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.419 -4.402 -14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.540 -3.390 -15.951 1.00 0.00 H new ATOM 950 N PHE A 60 -0.398 -3.428 -12.321 1.00 0.00 N ATOM 951 CA PHE A 60 -0.131 -2.919 -10.924 1.00 0.00 C ATOM 952 C PHE A 60 -0.262 -1.395 -10.906 1.00 0.00 C ATOM 953 O PHE A 60 -0.683 -0.810 -9.928 1.00 0.00 O ATOM 954 CB PHE A 60 1.285 -3.328 -10.529 1.00 0.00 C ATOM 955 CG PHE A 60 1.548 -2.931 -9.095 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.956 -1.626 -8.796 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.383 -3.866 -8.064 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.201 -1.255 -7.468 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.628 -3.495 -6.736 1.00 0.00 C ATOM 960 CZ PHE A 60 2.036 -2.190 -6.438 1.00 0.00 C ATOM 0 H PHE A 60 -1.373 -3.332 -12.606 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.848 -3.340 -10.219 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.409 -4.404 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.009 -2.849 -11.188 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.082 -0.905 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.067 -4.873 -8.294 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.517 -0.248 -7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.502 -4.216 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.224 -1.904 -5.414 1.00 0.00 H new ATOM 970 N GLU A 61 0.089 -0.748 -11.984 1.00 0.00 N ATOM 971 CA GLU A 61 -0.025 0.737 -12.030 1.00 0.00 C ATOM 972 C GLU A 61 -1.502 1.140 -12.023 1.00 0.00 C ATOM 973 O GLU A 61 -2.068 1.414 -10.984 1.00 0.00 O ATOM 974 CB GLU A 61 0.652 1.149 -13.339 1.00 0.00 C ATOM 975 CG GLU A 61 2.114 0.698 -13.323 1.00 0.00 C ATOM 976 CD GLU A 61 2.969 1.707 -14.093 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.473 2.787 -14.368 1.00 0.00 O ATOM 978 OE2 GLU A 61 4.105 1.381 -14.396 1.00 0.00 O ATOM 0 H GLU A 61 0.449 -1.183 -12.833 1.00 0.00 H new ATOM 0 HA GLU A 61 0.441 1.222 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.132 0.702 -14.186 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.595 2.230 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.468 0.614 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.205 -0.290 -13.773 1.00 0.00 H new ATOM 985 N GLU A 62 -2.136 1.166 -13.165 1.00 0.00 N ATOM 986 CA GLU A 62 -3.580 1.535 -13.197 1.00 0.00 C ATOM 987 C GLU A 62 -4.303 0.808 -12.066 1.00 0.00 C ATOM 988 O GLU A 62 -5.281 1.287 -11.528 1.00 0.00 O ATOM 989 CB GLU A 62 -4.083 1.055 -14.558 1.00 0.00 C ATOM 990 CG GLU A 62 -3.776 -0.437 -14.717 1.00 0.00 C ATOM 991 CD GLU A 62 -3.905 -0.831 -16.189 1.00 0.00 C ATOM 992 OE1 GLU A 62 -3.536 -0.029 -17.031 1.00 0.00 O ATOM 993 OE2 GLU A 62 -4.369 -1.929 -16.450 1.00 0.00 O ATOM 0 H GLU A 62 -1.720 0.949 -14.071 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.751 2.603 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.156 1.228 -14.643 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.604 1.623 -15.356 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.769 -0.652 -14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.463 -1.027 -14.110 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.810 -0.340 -11.688 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.451 -1.088 -10.575 1.00 0.00 C ATOM 1002 C VAL A 63 -4.453 -0.211 -9.331 1.00 0.00 C ATOM 1003 O VAL A 63 -5.462 -0.035 -8.677 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.571 -2.317 -10.355 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.949 -2.987 -9.033 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.780 -3.305 -11.502 1.00 0.00 C ATOM 0 H VAL A 63 -2.993 -0.789 -12.102 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.481 -1.369 -10.793 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.525 -2.012 -10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.321 -3.864 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.801 -2.284 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.995 -3.291 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.152 -4.182 -11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.826 -3.609 -11.535 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.511 -2.830 -12.445 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.323 0.353 -9.010 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.242 1.233 -7.816 1.00 0.00 C ATOM 1018 C ALA A 64 -4.205 2.408 -7.972 1.00 0.00 C ATOM 1019 O ALA A 64 -5.103 2.589 -7.177 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.796 1.727 -7.784 1.00 0.00 C ATOM 0 H ALA A 64 -2.450 0.241 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.513 0.714 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.655 2.386 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.122 0.874 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.578 2.274 -8.701 1.00 0.00 H new ATOM 1026 N THR A 65 -4.022 3.205 -8.994 1.00 0.00 N ATOM 1027 CA THR A 65 -4.923 4.377 -9.209 1.00 0.00 C ATOM 1028 C THR A 65 -6.361 4.022 -8.827 1.00 0.00 C ATOM 1029 O THR A 65 -7.091 4.835 -8.296 1.00 0.00 O ATOM 1030 CB THR A 65 -4.831 4.688 -10.704 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.069 3.677 -11.354 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.166 6.051 -10.906 1.00 0.00 C ATOM 0 H THR A 65 -3.285 3.094 -9.691 1.00 0.00 H new ATOM 0 HA THR A 65 -4.632 5.231 -8.597 1.00 0.00 H new ATOM 0 HB THR A 65 -5.833 4.713 -11.132 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.276 4.079 -11.767 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.102 6.270 -11.972 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.758 6.821 -10.412 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.164 6.034 -10.478 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.768 2.811 -9.083 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.153 2.401 -8.723 1.00 0.00 C ATOM 1042 C ARG A 66 -8.161 1.818 -7.310 1.00 0.00 C ATOM 1043 O ARG A 66 -8.906 2.244 -6.450 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.531 1.332 -9.749 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.039 1.071 -9.686 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.516 0.494 -11.021 1.00 0.00 C ATOM 1047 NE ARG A 66 -10.905 1.678 -11.835 1.00 0.00 N ATOM 1048 CZ ARG A 66 -11.227 1.529 -13.091 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -10.446 0.852 -13.887 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.330 2.056 -13.549 1.00 0.00 N ATOM 0 H ARG A 66 -6.202 2.087 -9.526 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.855 3.235 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.250 1.659 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.983 0.411 -9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.265 0.377 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.570 1.998 -9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.726 -0.078 -11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.359 -0.182 -10.880 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.920 2.606 -11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.585 0.440 -13.528 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.696 0.735 -14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.940 2.584 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.582 1.940 -14.531 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.326 0.850 -7.067 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.266 0.230 -5.712 1.00 0.00 C ATOM 1066 C VAL A 67 -6.152 0.875 -4.887 1.00 0.00 C ATOM 1067 O VAL A 67 -5.263 0.204 -4.417 1.00 0.00 O ATOM 1068 CB VAL A 67 -6.944 -1.243 -5.966 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.518 -1.368 -6.498 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.053 -2.026 -4.658 1.00 0.00 C ATOM 0 H VAL A 67 -6.678 0.458 -7.750 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.196 0.360 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.649 -1.642 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.288 -2.418 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.427 -0.811 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.819 -0.965 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.823 -3.075 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.348 -1.622 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.066 -1.940 -4.266 1.00 0.00 H new ATOM 1080 N SER A 68 -6.180 2.163 -4.704 1.00 0.00 N ATOM 1081 CA SER A 68 -5.099 2.808 -3.905 1.00 0.00 C ATOM 1082 C SER A 68 -5.677 3.886 -3.001 1.00 0.00 C ATOM 1083 O SER A 68 -6.744 4.412 -3.251 1.00 0.00 O ATOM 1084 CB SER A 68 -4.162 3.439 -4.930 1.00 0.00 C ATOM 1085 OG SER A 68 -3.375 2.425 -5.542 1.00 0.00 O ATOM 0 H SER A 68 -6.895 2.793 -5.067 1.00 0.00 H new ATOM 0 HA SER A 68 -4.587 2.089 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.739 3.972 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.517 4.172 -4.446 1.00 0.00 H new ATOM 0 HG SER A 68 -3.315 1.652 -4.943 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.971 4.238 -1.962 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.477 5.304 -1.062 1.00 0.00 C ATOM 1093 C ASP A 69 -6.008 6.447 -1.915 1.00 0.00 C ATOM 1094 O ASP A 69 -5.376 6.855 -2.865 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.265 5.738 -0.238 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.570 7.059 0.470 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.739 7.381 0.604 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.628 7.726 0.868 1.00 0.00 O ATOM 0 H ASP A 69 -4.071 3.835 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.289 4.976 -0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.017 4.970 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.395 5.853 -0.885 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.177 6.933 -1.595 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.797 8.040 -2.385 1.00 0.00 C ATOM 1105 C CYS A 70 -6.725 8.887 -3.086 1.00 0.00 C ATOM 1106 O CYS A 70 -6.555 8.828 -4.292 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.551 8.852 -1.336 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.987 10.476 -2.008 1.00 0.00 S ATOM 0 H CYS A 70 -7.738 6.606 -0.808 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.447 7.680 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.453 8.321 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.935 8.971 -0.444 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.631 11.159 -1.109 1.00 0.00 H new ATOM 1114 N SER A 71 -5.977 9.645 -2.341 1.00 0.00 N ATOM 1115 CA SER A 71 -4.898 10.457 -2.965 1.00 0.00 C ATOM 1116 C SER A 71 -4.014 9.534 -3.791 1.00 0.00 C ATOM 1117 O SER A 71 -3.721 9.791 -4.942 1.00 0.00 O ATOM 1118 CB SER A 71 -4.123 11.033 -1.787 1.00 0.00 C ATOM 1119 OG SER A 71 -3.187 11.994 -2.257 1.00 0.00 O ATOM 0 H SER A 71 -6.064 9.739 -1.329 1.00 0.00 H new ATOM 0 HA SER A 71 -5.268 11.242 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.810 11.496 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.605 10.235 -1.255 1.00 0.00 H new ATOM 0 HG SER A 71 -2.690 12.365 -1.498 1.00 0.00 H new ATOM 1125 N SER A 72 -3.608 8.444 -3.208 1.00 0.00 N ATOM 1126 CA SER A 72 -2.764 7.476 -3.955 1.00 0.00 C ATOM 1127 C SER A 72 -3.482 7.073 -5.239 1.00 0.00 C ATOM 1128 O SER A 72 -2.863 6.811 -6.240 1.00 0.00 O ATOM 1129 CB SER A 72 -2.592 6.275 -3.029 1.00 0.00 C ATOM 1130 OG SER A 72 -1.684 5.350 -3.618 1.00 0.00 O ATOM 0 H SER A 72 -3.824 8.182 -2.246 1.00 0.00 H new ATOM 0 HA SER A 72 -1.797 7.893 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.218 6.601 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.555 5.795 -2.855 1.00 0.00 H new ATOM 0 HG SER A 72 -0.780 5.728 -3.609 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.783 7.063 -5.252 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.469 6.721 -6.528 1.00 0.00 C ATOM 1138 C ALA A 73 -4.935 7.669 -7.597 1.00 0.00 C ATOM 1139 O ALA A 73 -4.667 7.288 -8.717 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.955 6.953 -6.284 1.00 0.00 C ATOM 0 H ALA A 73 -5.389 7.271 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.301 5.694 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.514 6.718 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.295 6.311 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.121 7.996 -6.016 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.739 8.906 -7.232 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.173 9.889 -8.198 1.00 0.00 C ATOM 1148 C LYS A 74 -2.667 9.611 -8.357 1.00 0.00 C ATOM 1149 O LYS A 74 -2.017 10.092 -9.264 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.423 11.256 -7.552 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.332 12.352 -8.618 1.00 0.00 C ATOM 1152 CD LYS A 74 -5.571 13.248 -8.539 1.00 0.00 C ATOM 1153 CE LYS A 74 -6.247 13.319 -9.911 1.00 0.00 C ATOM 1154 NZ LYS A 74 -5.679 14.534 -10.559 1.00 0.00 N ATOM 0 H LYS A 74 -4.947 9.279 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.620 9.836 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.406 11.273 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.690 11.438 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.431 12.946 -8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.257 11.904 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.269 12.855 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.288 14.248 -8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.040 12.425 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.330 13.393 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.095 14.650 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.897 15.370 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.648 14.432 -10.645 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.128 8.817 -7.466 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.679 8.450 -7.503 1.00 0.00 C ATOM 1170 C ARG A 75 -0.530 6.955 -7.177 1.00 0.00 C ATOM 1171 O ARG A 75 0.198 6.574 -6.281 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.044 9.289 -6.394 1.00 0.00 C ATOM 1173 CG ARG A 75 0.390 10.637 -6.957 1.00 0.00 C ATOM 1174 CD ARG A 75 -0.024 11.757 -5.998 1.00 0.00 C ATOM 1175 NE ARG A 75 0.965 12.846 -6.234 1.00 0.00 N ATOM 1176 CZ ARG A 75 0.741 14.045 -5.770 1.00 0.00 C ATOM 1177 NH1 ARG A 75 -0.022 14.209 -4.724 1.00 0.00 N ATOM 1178 NH2 ARG A 75 1.280 15.081 -6.352 1.00 0.00 N ATOM 0 H ARG A 75 -2.646 8.397 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.218 8.630 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.756 9.435 -5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.815 8.765 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.470 10.650 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.064 10.796 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.040 12.095 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.001 11.419 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 75 1.818 12.654 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.444 13.400 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.197 15.146 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.876 14.954 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.105 16.018 -5.989 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.246 6.112 -7.873 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.188 4.648 -7.585 1.00 0.00 C ATOM 1194 C GLY A 76 0.156 4.080 -8.017 1.00 0.00 C ATOM 1195 O GLY A 76 0.473 2.938 -7.751 1.00 0.00 O ATOM 0 H GLY A 76 -1.872 6.376 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.339 4.473 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.994 4.135 -8.110 1.00 0.00 H new ATOM 1199 N GLY A 77 0.952 4.863 -8.675 1.00 0.00 N ATOM 1200 CA GLY A 77 2.277 4.355 -9.113 1.00 0.00 C ATOM 1201 C GLY A 77 3.124 4.034 -7.882 1.00 0.00 C ATOM 1202 O GLY A 77 2.955 3.012 -7.226 1.00 0.00 O ATOM 0 H GLY A 77 0.747 5.829 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.153 3.463 -9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.779 5.099 -9.731 1.00 0.00 H new ATOM 1206 N ASP A 78 4.038 4.897 -7.553 1.00 0.00 N ATOM 1207 CA ASP A 78 4.892 4.633 -6.369 1.00 0.00 C ATOM 1208 C ASP A 78 5.186 5.921 -5.601 1.00 0.00 C ATOM 1209 O ASP A 78 5.033 7.014 -6.110 1.00 0.00 O ATOM 1210 CB ASP A 78 6.184 4.049 -6.940 1.00 0.00 C ATOM 1211 CG ASP A 78 6.974 5.151 -7.650 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.402 5.804 -8.507 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.137 5.321 -7.325 1.00 0.00 O ATOM 0 H ASP A 78 4.230 5.768 -8.049 1.00 0.00 H new ATOM 0 HA ASP A 78 4.405 3.960 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.784 3.615 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.954 3.244 -7.638 1.00 0.00 H new ATOM 1218 N LEU A 79 5.626 5.791 -4.381 1.00 0.00 N ATOM 1219 CA LEU A 79 5.954 6.995 -3.570 1.00 0.00 C ATOM 1220 C LEU A 79 7.119 7.735 -4.223 1.00 0.00 C ATOM 1221 O LEU A 79 6.969 8.808 -4.772 1.00 0.00 O ATOM 1222 CB LEU A 79 6.382 6.448 -2.206 1.00 0.00 C ATOM 1223 CG LEU A 79 5.154 6.015 -1.404 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.526 4.779 -2.047 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.579 5.673 0.023 1.00 0.00 C ATOM 0 H LEU A 79 5.773 4.899 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 79 5.117 7.689 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.055 5.601 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.934 7.211 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 79 4.427 6.827 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.652 4.474 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.225 5.013 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.253 3.967 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.706 5.364 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.306 4.861 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.029 6.550 0.489 1.00 0.00 H new ATOM 1237 N GLY A 80 8.279 7.151 -4.158 1.00 0.00 N ATOM 1238 CA GLY A 80 9.485 7.773 -4.757 1.00 0.00 C ATOM 1239 C GLY A 80 10.663 7.500 -3.846 1.00 0.00 C ATOM 1240 O GLY A 80 11.340 6.507 -3.981 1.00 0.00 O ATOM 0 H GLY A 80 8.444 6.252 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.670 7.363 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.339 8.846 -4.877 1.00 0.00 H new ATOM 1244 N SER A 81 10.903 8.371 -2.908 1.00 0.00 N ATOM 1245 CA SER A 81 12.041 8.161 -1.978 1.00 0.00 C ATOM 1246 C SER A 81 11.760 8.785 -0.611 1.00 0.00 C ATOM 1247 O SER A 81 11.432 9.950 -0.501 1.00 0.00 O ATOM 1248 CB SER A 81 13.222 8.855 -2.642 1.00 0.00 C ATOM 1249 OG SER A 81 13.309 10.194 -2.171 1.00 0.00 O ATOM 0 H SER A 81 10.359 9.219 -2.746 1.00 0.00 H new ATOM 0 HA SER A 81 12.225 7.101 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.145 8.319 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.101 8.846 -3.725 1.00 0.00 H new ATOM 0 HG SER A 81 12.453 10.457 -1.774 1.00 0.00 H new ATOM 1255 N PHE A 82 11.906 8.017 0.430 1.00 0.00 N ATOM 1256 CA PHE A 82 11.672 8.551 1.799 1.00 0.00 C ATOM 1257 C PHE A 82 12.606 7.836 2.779 1.00 0.00 C ATOM 1258 O PHE A 82 13.294 6.905 2.415 1.00 0.00 O ATOM 1259 CB PHE A 82 10.204 8.246 2.112 1.00 0.00 C ATOM 1260 CG PHE A 82 9.875 6.825 1.719 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.726 6.483 0.369 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.713 5.849 2.709 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.417 5.167 0.010 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.403 4.534 2.350 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.255 4.191 1.000 1.00 0.00 C ATOM 0 H PHE A 82 12.179 7.035 0.391 1.00 0.00 H new ATOM 0 HA PHE A 82 11.871 9.620 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.013 8.391 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.558 8.939 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.850 7.236 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.827 6.112 3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.303 4.904 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.277 3.782 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 82 9.016 3.175 0.723 1.00 0.00 H new ATOM 1275 N GLY A 83 12.650 8.258 4.010 1.00 0.00 N ATOM 1276 CA GLY A 83 13.556 7.583 4.980 1.00 0.00 C ATOM 1277 C GLY A 83 13.184 7.982 6.409 1.00 0.00 C ATOM 1278 O GLY A 83 13.624 8.994 6.919 1.00 0.00 O ATOM 0 H GLY A 83 12.104 9.034 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.484 6.501 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.591 7.857 4.775 1.00 0.00 H new ATOM 1282 N ARG A 84 12.383 7.185 7.060 1.00 0.00 N ATOM 1283 CA ARG A 84 11.982 7.499 8.463 1.00 0.00 C ATOM 1284 C ARG A 84 11.123 8.767 8.506 1.00 0.00 C ATOM 1285 O ARG A 84 11.481 9.791 7.959 1.00 0.00 O ATOM 1286 CB ARG A 84 13.294 7.722 9.221 1.00 0.00 C ATOM 1287 CG ARG A 84 14.335 6.682 8.792 1.00 0.00 C ATOM 1288 CD ARG A 84 13.692 5.293 8.746 1.00 0.00 C ATOM 1289 NE ARG A 84 13.196 5.050 10.129 1.00 0.00 N ATOM 1290 CZ ARG A 84 13.698 4.078 10.840 1.00 0.00 C ATOM 1291 NH1 ARG A 84 14.033 2.954 10.265 1.00 0.00 N ATOM 1292 NH2 ARG A 84 13.866 4.229 12.125 1.00 0.00 N ATOM 0 H ARG A 84 11.986 6.325 6.680 1.00 0.00 H new ATOM 0 HA ARG A 84 11.388 6.697 8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.670 8.726 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.119 7.651 10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.737 6.939 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.172 6.682 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.877 5.260 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.415 4.534 8.447 1.00 0.00 H new ATOM 0 HE ARG A 84 12.464 5.643 10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.902 2.836 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.425 2.194 10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.605 5.107 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.258 3.469 12.681 1.00 0.00 H new ATOM 1306 N GLY A 85 9.995 8.708 9.164 1.00 0.00 N ATOM 1307 CA GLY A 85 9.116 9.910 9.256 1.00 0.00 C ATOM 1308 C GLY A 85 8.237 10.013 8.008 1.00 0.00 C ATOM 1309 O GLY A 85 7.633 11.035 7.748 1.00 0.00 O ATOM 0 H GLY A 85 9.644 7.878 9.642 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.491 9.846 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.724 10.809 9.357 1.00 0.00 H new ATOM 1313 N GLN A 86 8.158 8.967 7.233 1.00 0.00 N ATOM 1314 CA GLN A 86 7.314 9.014 6.003 1.00 0.00 C ATOM 1315 C GLN A 86 6.291 7.881 6.015 1.00 0.00 C ATOM 1316 O GLN A 86 5.099 8.100 6.097 1.00 0.00 O ATOM 1317 CB GLN A 86 8.288 8.812 4.841 1.00 0.00 C ATOM 1318 CG GLN A 86 9.524 9.683 5.042 1.00 0.00 C ATOM 1319 CD GLN A 86 9.634 10.683 3.889 1.00 0.00 C ATOM 1320 OE1 GLN A 86 8.640 11.062 3.303 1.00 0.00 O ATOM 1321 NE2 GLN A 86 10.809 11.129 3.537 1.00 0.00 N ATOM 0 H GLN A 86 8.640 8.083 7.396 1.00 0.00 H new ATOM 0 HA GLN A 86 6.763 9.952 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.578 7.763 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.802 9.067 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.459 10.213 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.418 9.061 5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.644 10.811 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.893 11.796 2.770 1.00 0.00 H new ATOM 1330 N MET A 87 6.758 6.670 5.919 1.00 0.00 N ATOM 1331 CA MET A 87 5.837 5.505 5.906 1.00 0.00 C ATOM 1332 C MET A 87 5.732 4.899 7.307 1.00 0.00 C ATOM 1333 O MET A 87 5.669 3.697 7.477 1.00 0.00 O ATOM 1334 CB MET A 87 6.493 4.536 4.923 1.00 0.00 C ATOM 1335 CG MET A 87 5.682 4.496 3.622 1.00 0.00 C ATOM 1336 SD MET A 87 5.296 6.182 3.086 1.00 0.00 S ATOM 1337 CE MET A 87 7.002 6.763 2.926 1.00 0.00 C ATOM 0 H MET A 87 7.748 6.436 5.848 1.00 0.00 H new ATOM 0 HA MET A 87 4.818 5.760 5.614 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.516 4.849 4.716 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.547 3.539 5.361 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.247 3.979 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.761 3.933 3.774 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.009 7.848 2.827 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.569 6.476 3.812 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.458 6.315 2.043 1.00 0.00 H new ATOM 1347 N GLN A 88 5.710 5.734 8.312 1.00 0.00 N ATOM 1348 CA GLN A 88 5.606 5.231 9.712 1.00 0.00 C ATOM 1349 C GLN A 88 6.626 4.111 9.960 1.00 0.00 C ATOM 1350 O GLN A 88 7.607 3.986 9.255 1.00 0.00 O ATOM 1351 CB GLN A 88 4.172 4.712 9.840 1.00 0.00 C ATOM 1352 CG GLN A 88 3.222 5.891 10.061 1.00 0.00 C ATOM 1353 CD GLN A 88 2.468 5.699 11.379 1.00 0.00 C ATOM 1354 OE1 GLN A 88 2.421 4.607 11.911 1.00 0.00 O ATOM 1355 NE2 GLN A 88 1.871 6.720 11.931 1.00 0.00 N ATOM 0 H GLN A 88 5.760 6.749 8.222 1.00 0.00 H new ATOM 0 HA GLN A 88 5.821 6.006 10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.889 4.167 8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.100 4.012 10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.784 6.825 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.516 5.963 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.910 7.636 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.365 6.602 12.809 1.00 0.00 H new ATOM 1364 N LYS A 89 6.409 3.310 10.969 1.00 0.00 N ATOM 1365 CA LYS A 89 7.370 2.210 11.282 1.00 0.00 C ATOM 1366 C LYS A 89 7.042 0.894 10.542 1.00 0.00 C ATOM 1367 O LYS A 89 7.936 0.111 10.290 1.00 0.00 O ATOM 1368 CB LYS A 89 7.246 2.011 12.792 1.00 0.00 C ATOM 1369 CG LYS A 89 8.397 2.731 13.496 1.00 0.00 C ATOM 1370 CD LYS A 89 8.959 1.836 14.602 1.00 0.00 C ATOM 1371 CE LYS A 89 9.833 0.743 13.982 1.00 0.00 C ATOM 1372 NZ LYS A 89 9.430 -0.511 14.677 1.00 0.00 N ATOM 0 H LYS A 89 5.604 3.370 11.593 1.00 0.00 H new ATOM 0 HA LYS A 89 8.377 2.474 10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.290 2.399 13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.266 0.948 13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.180 2.975 12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.047 3.673 13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.545 2.431 15.303 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.144 1.386 15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.669 0.669 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.892 0.953 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.986 -1.308 14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.603 -0.413 15.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.419 -0.689 14.513 1.00 0.00 H new ATOM 1386 N PRO A 90 5.785 0.661 10.227 1.00 0.00 N ATOM 1387 CA PRO A 90 5.419 -0.600 9.539 1.00 0.00 C ATOM 1388 C PRO A 90 5.849 -0.569 8.070 1.00 0.00 C ATOM 1389 O PRO A 90 6.794 -1.229 7.686 1.00 0.00 O ATOM 1390 CB PRO A 90 3.902 -0.665 9.675 1.00 0.00 C ATOM 1391 CG PRO A 90 3.459 0.751 9.858 1.00 0.00 C ATOM 1392 CD PRO A 90 4.613 1.515 10.461 1.00 0.00 C ATOM 0 HA PRO A 90 5.912 -1.473 9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.447 -1.108 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.610 -1.281 10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.168 1.188 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.586 0.798 10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.733 2.490 9.989 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.458 1.693 11.525 1.00 0.00 H new ATOM 1400 N PHE A 91 5.172 0.179 7.240 1.00 0.00 N ATOM 1401 CA PHE A 91 5.577 0.213 5.806 1.00 0.00 C ATOM 1402 C PHE A 91 7.088 0.368 5.696 1.00 0.00 C ATOM 1403 O PHE A 91 7.766 -0.446 5.111 1.00 0.00 O ATOM 1404 CB PHE A 91 4.885 1.431 5.184 1.00 0.00 C ATOM 1405 CG PHE A 91 5.293 1.534 3.724 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.632 1.783 3.374 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.339 1.347 2.716 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.008 1.843 2.038 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.722 1.417 1.368 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.057 1.663 1.031 1.00 0.00 C ATOM 0 H PHE A 91 4.370 0.758 7.487 1.00 0.00 H new ATOM 0 HA PHE A 91 5.294 -0.708 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.803 1.333 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.165 2.338 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.372 1.928 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.310 1.149 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.039 2.029 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.985 1.281 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.352 1.714 -0.007 1.00 0.00 H new ATOM 1420 N GLU A 92 7.613 1.436 6.222 1.00 0.00 N ATOM 1421 CA GLU A 92 9.080 1.672 6.124 1.00 0.00 C ATOM 1422 C GLU A 92 9.835 0.371 6.381 1.00 0.00 C ATOM 1423 O GLU A 92 10.587 -0.099 5.551 1.00 0.00 O ATOM 1424 CB GLU A 92 9.389 2.704 7.210 1.00 0.00 C ATOM 1425 CG GLU A 92 10.877 3.053 7.180 1.00 0.00 C ATOM 1426 CD GLU A 92 11.617 2.219 8.229 1.00 0.00 C ATOM 1427 OE1 GLU A 92 11.126 2.132 9.342 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.662 1.682 7.901 1.00 0.00 O ATOM 0 H GLU A 92 7.090 2.158 6.717 1.00 0.00 H new ATOM 0 HA GLU A 92 9.381 2.024 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.792 3.602 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.118 2.308 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.287 2.858 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.017 4.115 7.380 1.00 0.00 H new ATOM 1435 N GLU A 93 9.629 -0.220 7.519 1.00 0.00 N ATOM 1436 CA GLU A 93 10.324 -1.500 7.826 1.00 0.00 C ATOM 1437 C GLU A 93 9.995 -2.528 6.742 1.00 0.00 C ATOM 1438 O GLU A 93 10.705 -3.495 6.546 1.00 0.00 O ATOM 1439 CB GLU A 93 9.762 -1.939 9.177 1.00 0.00 C ATOM 1440 CG GLU A 93 10.389 -3.273 9.578 1.00 0.00 C ATOM 1441 CD GLU A 93 11.911 -3.173 9.465 1.00 0.00 C ATOM 1442 OE1 GLU A 93 12.534 -2.796 10.445 1.00 0.00 O ATOM 1443 OE2 GLU A 93 12.429 -3.473 8.402 1.00 0.00 O ATOM 0 H GLU A 93 9.010 0.126 8.252 1.00 0.00 H new ATOM 0 HA GLU A 93 11.409 -1.397 7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.973 -1.183 9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.678 -2.037 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.105 -3.529 10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.017 -4.070 8.935 1.00 0.00 H new ATOM 1450 N ALA A 94 8.924 -2.312 6.032 1.00 0.00 N ATOM 1451 CA ALA A 94 8.531 -3.253 4.946 1.00 0.00 C ATOM 1452 C ALA A 94 9.445 -3.066 3.740 1.00 0.00 C ATOM 1453 O ALA A 94 10.077 -3.993 3.272 1.00 0.00 O ATOM 1454 CB ALA A 94 7.100 -2.856 4.580 1.00 0.00 C ATOM 0 H ALA A 94 8.298 -1.517 6.158 1.00 0.00 H new ATOM 0 HA ALA A 94 8.605 -4.295 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.735 -3.504 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.458 -2.960 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.085 -1.820 4.241 1.00 0.00 H new ATOM 1460 N THR A 95 9.522 -1.868 3.236 1.00 0.00 N ATOM 1461 CA THR A 95 10.397 -1.613 2.063 1.00 0.00 C ATOM 1462 C THR A 95 11.856 -1.770 2.480 1.00 0.00 C ATOM 1463 O THR A 95 12.711 -2.112 1.687 1.00 0.00 O ATOM 1464 CB THR A 95 10.101 -0.171 1.650 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.727 -0.051 1.310 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.962 0.204 0.444 1.00 0.00 C ATOM 0 H THR A 95 9.016 -1.055 3.586 1.00 0.00 H new ATOM 0 HA THR A 95 10.217 -2.306 1.241 1.00 0.00 H new ATOM 0 HB THR A 95 10.331 0.499 2.478 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.243 0.372 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.750 1.232 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.016 0.112 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.735 -0.464 -0.387 1.00 0.00 H new ATOM 1474 N TYR A 96 12.140 -1.536 3.731 1.00 0.00 N ATOM 1475 CA TYR A 96 13.537 -1.683 4.220 1.00 0.00 C ATOM 1476 C TYR A 96 13.859 -3.167 4.407 1.00 0.00 C ATOM 1477 O TYR A 96 15.005 -3.570 4.443 1.00 0.00 O ATOM 1478 CB TYR A 96 13.553 -0.968 5.571 1.00 0.00 C ATOM 1479 CG TYR A 96 14.075 0.438 5.401 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.450 0.667 5.273 1.00 0.00 C ATOM 1481 CD2 TYR A 96 13.181 1.516 5.379 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.931 1.974 5.121 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.661 2.822 5.227 1.00 0.00 C ATOM 1484 CZ TYR A 96 15.036 3.051 5.099 1.00 0.00 C ATOM 1485 OH TYR A 96 15.510 4.339 4.950 1.00 0.00 O ATOM 0 H TYR A 96 11.462 -1.249 4.437 1.00 0.00 H new ATOM 0 HA TYR A 96 14.271 -1.271 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.548 -0.944 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.180 -1.516 6.275 1.00 0.00 H new ATOM 0 HD1 TYR A 96 16.140 -0.164 5.291 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.120 1.339 5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.992 2.151 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.971 3.653 5.208 1.00 0.00 H new ATOM 0 HH TYR A 96 16.335 4.325 4.422 1.00 0.00 H new ATOM 1495 N ALA A 97 12.844 -3.978 4.543 1.00 0.00 N ATOM 1496 CA ALA A 97 13.064 -5.440 4.749 1.00 0.00 C ATOM 1497 C ALA A 97 13.061 -6.199 3.416 1.00 0.00 C ATOM 1498 O ALA A 97 13.898 -7.047 3.178 1.00 0.00 O ATOM 1499 CB ALA A 97 11.885 -5.888 5.614 1.00 0.00 C ATOM 0 H ALA A 97 11.866 -3.689 4.520 1.00 0.00 H new ATOM 0 HA ALA A 97 14.030 -5.641 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.967 -6.956 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.896 -5.339 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.951 -5.688 5.088 1.00 0.00 H new ATOM 1505 N LEU A 98 12.123 -5.918 2.550 1.00 0.00 N ATOM 1506 CA LEU A 98 12.078 -6.650 1.248 1.00 0.00 C ATOM 1507 C LEU A 98 13.456 -6.639 0.580 1.00 0.00 C ATOM 1508 O LEU A 98 14.303 -5.826 0.894 1.00 0.00 O ATOM 1509 CB LEU A 98 11.058 -5.897 0.395 1.00 0.00 C ATOM 1510 CG LEU A 98 10.342 -6.884 -0.530 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.113 -7.455 0.181 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.899 -6.163 -1.805 1.00 0.00 C ATOM 0 H LEU A 98 11.392 -5.220 2.685 1.00 0.00 H new ATOM 0 HA LEU A 98 11.801 -7.696 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.335 -5.391 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.557 -5.127 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 98 11.024 -7.695 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.604 -8.158 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.425 -7.971 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.433 -6.644 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.389 -6.867 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.219 -5.351 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.772 -5.757 -2.315 1.00 0.00 H new ATOM 1524 N LYS A 99 13.688 -7.540 -0.337 1.00 0.00 N ATOM 1525 CA LYS A 99 15.012 -7.586 -1.021 1.00 0.00 C ATOM 1526 C LYS A 99 14.827 -7.661 -2.540 1.00 0.00 C ATOM 1527 O LYS A 99 15.447 -8.462 -3.211 1.00 0.00 O ATOM 1528 CB LYS A 99 15.679 -8.860 -0.500 1.00 0.00 C ATOM 1529 CG LYS A 99 16.743 -8.493 0.535 1.00 0.00 C ATOM 1530 CD LYS A 99 18.030 -8.079 -0.182 1.00 0.00 C ATOM 1531 CE LYS A 99 19.025 -7.514 0.834 1.00 0.00 C ATOM 1532 NZ LYS A 99 19.954 -8.640 1.129 1.00 0.00 N ATOM 0 H LYS A 99 13.018 -8.246 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 99 15.610 -6.697 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.933 -9.517 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.133 -9.409 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 99 16.387 -7.678 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.936 -9.342 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.465 -8.937 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.809 -7.332 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.561 -6.656 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.517 -7.174 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.667 -8.330 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.417 -9.440 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.428 -8.938 0.252 1.00 0.00 H new ATOM 1546 N VAL A 100 13.983 -6.829 -3.087 1.00 0.00 N ATOM 1547 CA VAL A 100 13.764 -6.850 -4.563 1.00 0.00 C ATOM 1548 C VAL A 100 13.326 -8.247 -5.017 1.00 0.00 C ATOM 1549 O VAL A 100 14.096 -9.187 -4.996 1.00 0.00 O ATOM 1550 CB VAL A 100 15.127 -6.473 -5.162 1.00 0.00 C ATOM 1551 CG1 VAL A 100 15.251 -7.001 -6.597 1.00 0.00 C ATOM 1552 CG2 VAL A 100 15.267 -4.949 -5.174 1.00 0.00 C ATOM 0 H VAL A 100 13.436 -6.136 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 100 12.978 -6.165 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 100 15.913 -6.920 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.223 -6.724 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.155 -8.087 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.463 -6.568 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.233 -4.676 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.470 -4.515 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.198 -4.569 -4.155 1.00 0.00 H new ATOM 1562 N GLY A 101 12.096 -8.388 -5.433 1.00 0.00 N ATOM 1563 CA GLY A 101 11.614 -9.720 -5.895 1.00 0.00 C ATOM 1564 C GLY A 101 10.883 -10.433 -4.757 1.00 0.00 C ATOM 1565 O GLY A 101 10.998 -11.630 -4.589 1.00 0.00 O ATOM 0 H GLY A 101 11.405 -7.639 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.946 -9.599 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.456 -10.324 -6.233 1.00 0.00 H new ATOM 1569 N ASP A 102 10.139 -9.709 -3.970 1.00 0.00 N ATOM 1570 CA ASP A 102 9.411 -10.358 -2.839 1.00 0.00 C ATOM 1571 C ASP A 102 7.961 -9.861 -2.750 1.00 0.00 C ATOM 1572 O ASP A 102 7.133 -10.464 -2.096 1.00 0.00 O ATOM 1573 CB ASP A 102 10.193 -9.952 -1.591 1.00 0.00 C ATOM 1574 CG ASP A 102 10.856 -11.189 -0.983 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.924 -12.197 -1.668 1.00 0.00 O ATOM 1576 OD2 ASP A 102 11.283 -11.109 0.156 1.00 0.00 O ATOM 0 H ASP A 102 10.002 -8.702 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 102 9.353 -11.439 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.949 -9.210 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.525 -9.489 -0.864 1.00 0.00 H new ATOM 1581 N ILE A 103 7.644 -8.767 -3.389 1.00 0.00 N ATOM 1582 CA ILE A 103 6.249 -8.244 -3.321 1.00 0.00 C ATOM 1583 C ILE A 103 5.751 -8.283 -1.880 1.00 0.00 C ATOM 1584 O ILE A 103 4.987 -9.147 -1.498 1.00 0.00 O ATOM 1585 CB ILE A 103 5.419 -9.176 -4.201 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.050 -9.247 -5.591 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.994 -8.629 -4.314 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.207 -10.151 -6.495 1.00 0.00 C ATOM 0 H ILE A 103 8.289 -8.214 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 103 6.181 -7.210 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 103 5.392 -10.173 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.118 -8.248 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.067 -9.634 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.398 -9.292 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.547 -8.570 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.020 -7.634 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.660 -10.199 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.162 -11.153 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.199 -9.745 -6.577 1.00 0.00 H new ATOM 1600 N SER A 104 6.184 -7.350 -1.080 1.00 0.00 N ATOM 1601 CA SER A 104 5.747 -7.315 0.345 1.00 0.00 C ATOM 1602 C SER A 104 4.268 -7.683 0.455 1.00 0.00 C ATOM 1603 O SER A 104 3.912 -8.731 0.956 1.00 0.00 O ATOM 1604 CB SER A 104 5.970 -5.871 0.787 1.00 0.00 C ATOM 1605 OG SER A 104 4.991 -5.521 1.755 1.00 0.00 O ATOM 0 H SER A 104 6.826 -6.605 -1.353 1.00 0.00 H new ATOM 0 HA SER A 104 6.297 -8.024 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.970 -5.757 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.906 -5.202 -0.071 1.00 0.00 H new ATOM 0 HG SER A 104 5.301 -4.746 2.269 1.00 0.00 H new ATOM 1611 N ASP A 105 3.407 -6.828 -0.013 1.00 0.00 N ATOM 1612 CA ASP A 105 1.949 -7.123 0.059 1.00 0.00 C ATOM 1613 C ASP A 105 1.522 -7.323 1.515 1.00 0.00 C ATOM 1614 O ASP A 105 2.328 -7.244 2.422 1.00 0.00 O ATOM 1615 CB ASP A 105 1.769 -8.414 -0.738 1.00 0.00 C ATOM 1616 CG ASP A 105 0.914 -8.132 -1.972 1.00 0.00 C ATOM 1617 OD1 ASP A 105 -0.225 -7.736 -1.797 1.00 0.00 O ATOM 1618 OD2 ASP A 105 1.412 -8.314 -3.070 1.00 0.00 O ATOM 0 H ASP A 105 3.648 -5.935 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 105 1.341 -6.311 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.740 -8.808 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.293 -9.174 -0.118 1.00 0.00 H new ATOM 1623 N ILE A 106 0.261 -7.577 1.747 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.213 -7.777 3.147 1.00 0.00 C ATOM 1625 C ILE A 106 0.432 -6.735 4.064 1.00 0.00 C ATOM 1626 O ILE A 106 1.149 -7.062 4.988 1.00 0.00 O ATOM 1627 CB ILE A 106 0.245 -9.186 3.525 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.103 -10.156 2.393 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -0.464 -9.627 4.806 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -1.618 -10.363 2.347 1.00 0.00 C ATOM 0 H ILE A 106 -0.459 -7.654 1.029 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.293 -7.666 3.243 1.00 0.00 H new ATOM 0 HB ILE A 106 1.323 -9.185 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.250 -9.762 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.401 -11.110 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.137 -10.631 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.219 -8.937 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.542 -9.627 4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.867 -11.054 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.958 -10.776 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.111 -9.407 2.170 1.00 0.00 H new ATOM 1642 N VAL A 107 0.194 -5.480 3.800 1.00 0.00 N ATOM 1643 CA VAL A 107 0.804 -4.409 4.637 1.00 0.00 C ATOM 1644 C VAL A 107 -0.283 -3.540 5.279 1.00 0.00 C ATOM 1645 O VAL A 107 -0.693 -2.536 4.732 1.00 0.00 O ATOM 1646 CB VAL A 107 1.640 -3.597 3.648 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.412 -2.510 4.392 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.631 -4.528 2.946 1.00 0.00 C ATOM 0 H VAL A 107 -0.398 -5.149 3.038 1.00 0.00 H new ATOM 0 HA VAL A 107 1.400 -4.804 5.460 1.00 0.00 H new ATOM 0 HB VAL A 107 0.981 -3.132 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.006 -1.935 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.710 -1.848 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.072 -2.971 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.231 -3.955 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.285 -4.988 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.084 -5.305 2.412 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.751 -3.918 6.438 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.813 -3.113 7.116 1.00 0.00 C ATOM 1660 C ASP A 108 -1.195 -1.932 7.865 1.00 0.00 C ATOM 1661 O ASP A 108 -0.697 -2.068 8.965 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.488 -4.077 8.091 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.427 -4.776 8.942 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.258 -4.480 8.757 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.800 -5.595 9.765 1.00 0.00 O ATOM 0 H ASP A 108 -0.446 -4.748 6.946 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.524 -2.694 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.183 -3.534 8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.072 -4.815 7.542 1.00 0.00 H new ATOM 1670 N THR A 109 -1.235 -0.770 7.274 1.00 0.00 N ATOM 1671 CA THR A 109 -0.662 0.433 7.939 1.00 0.00 C ATOM 1672 C THR A 109 -1.619 1.613 7.766 1.00 0.00 C ATOM 1673 O THR A 109 -2.821 1.441 7.697 1.00 0.00 O ATOM 1674 CB THR A 109 0.659 0.700 7.214 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.392 1.289 5.949 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.415 -0.616 7.018 1.00 0.00 C ATOM 0 H THR A 109 -1.642 -0.602 6.354 1.00 0.00 H new ATOM 0 HA THR A 109 -0.509 0.290 9.009 1.00 0.00 H new ATOM 0 HB THR A 109 1.269 1.379 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.237 1.462 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.355 -0.422 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.621 -1.066 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.808 -1.299 6.423 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.100 2.808 7.686 1.00 0.00 N ATOM 1685 CA ASP A 110 -1.988 3.992 7.507 1.00 0.00 C ATOM 1686 C ASP A 110 -3.076 3.667 6.481 1.00 0.00 C ATOM 1687 O ASP A 110 -2.853 2.924 5.547 1.00 0.00 O ATOM 1688 CB ASP A 110 -1.071 5.102 6.991 1.00 0.00 C ATOM 1689 CG ASP A 110 -0.890 6.161 8.080 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -0.834 5.785 9.240 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -0.812 7.328 7.737 1.00 0.00 O ATOM 0 H ASP A 110 -0.103 3.015 7.737 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.491 4.284 8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.104 4.687 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.498 5.555 6.096 1.00 0.00 H new ATOM 1696 N SER A 111 -4.253 4.206 6.652 1.00 0.00 N ATOM 1697 CA SER A 111 -5.358 3.914 5.691 1.00 0.00 C ATOM 1698 C SER A 111 -5.825 2.466 5.847 1.00 0.00 C ATOM 1699 O SER A 111 -6.982 2.201 6.106 1.00 0.00 O ATOM 1700 CB SER A 111 -4.761 4.125 4.301 1.00 0.00 C ATOM 1701 OG SER A 111 -3.861 5.225 4.333 1.00 0.00 O ATOM 0 H SER A 111 -4.498 4.836 7.416 1.00 0.00 H new ATOM 0 HA SER A 111 -6.222 4.556 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.240 3.224 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.554 4.312 3.577 1.00 0.00 H new ATOM 0 HG SER A 111 -3.477 5.359 3.442 1.00 0.00 H new ATOM 1707 N GLY A 112 -4.933 1.529 5.690 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.325 0.096 5.826 1.00 0.00 C ATOM 1709 C GLY A 112 -4.322 -0.792 5.083 1.00 0.00 C ATOM 1710 O GLY A 112 -3.228 -0.375 4.758 1.00 0.00 O ATOM 0 H GLY A 112 -3.950 1.692 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.360 -0.182 6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.326 -0.056 5.423 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.690 -2.017 4.814 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.762 -2.942 4.093 1.00 0.00 C ATOM 1716 C VAL A 113 -3.235 -2.285 2.816 1.00 0.00 C ATOM 1717 O VAL A 113 -3.981 -1.736 2.029 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.596 -4.183 3.765 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.725 -5.059 5.013 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.990 -3.761 3.300 1.00 0.00 C ATOM 0 H VAL A 113 -5.594 -2.419 5.062 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.889 -3.194 4.696 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.103 -4.745 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.319 -5.942 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.734 -5.367 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.214 -4.493 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.580 -4.648 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.482 -3.195 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.904 -3.139 2.409 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.947 -2.337 2.614 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.349 -1.717 1.399 1.00 0.00 C ATOM 1732 C HIS A 114 -0.415 -2.708 0.702 1.00 0.00 C ATOM 1733 O HIS A 114 -0.257 -3.837 1.122 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.534 -0.533 1.922 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.413 0.676 2.074 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.876 1.397 0.985 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -1.898 1.318 3.184 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.603 2.424 1.461 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.648 2.422 2.794 1.00 0.00 N ATOM 0 H HIS A 114 -1.280 -2.785 3.242 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.111 -1.419 0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.084 -0.787 2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.283 -0.313 1.235 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -1.698 1.187 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.724 1.013 4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.091 3.160 0.839 1.00 0.00 H new ATOM 1747 N ILE A 115 0.222 -2.275 -0.346 1.00 0.00 N ATOM 1748 CA ILE A 115 1.177 -3.158 -1.073 1.00 0.00 C ATOM 1749 C ILE A 115 2.473 -2.379 -1.305 1.00 0.00 C ATOM 1750 O ILE A 115 2.529 -1.192 -1.066 1.00 0.00 O ATOM 1751 CB ILE A 115 0.498 -3.500 -2.403 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.994 -3.760 -2.170 1.00 0.00 C ATOM 1753 CG2 ILE A 115 1.143 -4.756 -2.990 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -1.646 -4.207 -3.479 1.00 0.00 C ATOM 0 H ILE A 115 0.122 -1.338 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 115 1.422 -4.067 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 115 0.616 -2.666 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.125 -4.526 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.478 -2.856 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 115 0.663 -5.003 -3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.205 -4.575 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.022 -5.586 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -2.707 -4.392 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.527 -3.426 -4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.169 -5.122 -3.829 1.00 0.00 H new ATOM 1766 N ILE A 116 3.520 -3.018 -1.750 1.00 0.00 N ATOM 1767 CA ILE A 116 4.792 -2.265 -1.960 1.00 0.00 C ATOM 1768 C ILE A 116 5.591 -2.837 -3.138 1.00 0.00 C ATOM 1769 O ILE A 116 5.458 -3.989 -3.501 1.00 0.00 O ATOM 1770 CB ILE A 116 5.553 -2.424 -0.634 1.00 0.00 C ATOM 1771 CG1 ILE A 116 5.191 -1.262 0.292 1.00 0.00 C ATOM 1772 CG2 ILE A 116 7.067 -2.417 -0.877 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.763 -1.811 1.653 1.00 0.00 C ATOM 0 H ILE A 116 3.553 -4.012 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 116 4.617 -1.219 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 116 5.273 -3.374 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 116 6.046 -0.596 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.385 -0.672 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.589 -2.531 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.333 -3.242 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.357 -1.473 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.505 -0.984 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.896 -2.460 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.583 -2.382 2.089 1.00 0.00 H new ATOM 1785 N LYS A 117 6.428 -2.023 -3.726 1.00 0.00 N ATOM 1786 CA LYS A 117 7.262 -2.484 -4.874 1.00 0.00 C ATOM 1787 C LYS A 117 8.559 -1.670 -4.924 1.00 0.00 C ATOM 1788 O LYS A 117 8.546 -0.462 -4.796 1.00 0.00 O ATOM 1789 CB LYS A 117 6.413 -2.215 -6.117 1.00 0.00 C ATOM 1790 CG LYS A 117 6.439 -3.442 -7.030 1.00 0.00 C ATOM 1791 CD LYS A 117 5.075 -4.133 -6.990 1.00 0.00 C ATOM 1792 CE LYS A 117 4.960 -5.104 -8.166 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.866 -6.451 -7.541 1.00 0.00 N ATOM 0 H LYS A 117 6.570 -1.049 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 117 7.539 -3.535 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.387 -1.986 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.795 -1.344 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 117 6.679 -3.145 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.219 -4.132 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.955 -4.669 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.278 -3.391 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.081 -4.888 -8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.826 -5.033 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.699 -7.165 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.754 -6.666 -7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.078 -6.464 -6.862 1.00 0.00 H new ATOM 1807 N ARG A 118 9.679 -2.316 -5.100 1.00 0.00 N ATOM 1808 CA ARG A 118 10.966 -1.563 -5.148 1.00 0.00 C ATOM 1809 C ARG A 118 11.737 -1.895 -6.429 1.00 0.00 C ATOM 1810 O ARG A 118 11.798 -1.103 -7.349 1.00 0.00 O ATOM 1811 CB ARG A 118 11.741 -2.028 -3.914 1.00 0.00 C ATOM 1812 CG ARG A 118 12.030 -0.825 -3.012 1.00 0.00 C ATOM 1813 CD ARG A 118 12.699 -1.301 -1.721 1.00 0.00 C ATOM 1814 NE ARG A 118 13.293 -0.075 -1.121 1.00 0.00 N ATOM 1815 CZ ARG A 118 14.529 -0.088 -0.706 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.817 -0.570 0.471 1.00 0.00 N ATOM 1817 NH2 ARG A 118 15.478 0.381 -1.470 1.00 0.00 N ATOM 0 H ARG A 118 9.760 -3.327 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 118 10.811 -0.484 -5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.164 -2.775 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.675 -2.503 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.677 -0.117 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.103 -0.300 -2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.975 -1.759 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.463 -2.051 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 118 12.734 0.774 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.075 -0.937 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.784 -0.580 0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.252 0.757 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.445 0.371 -1.146 1.00 0.00 H new ATOM 1831 N THR A 119 12.326 -3.057 -6.498 1.00 0.00 N ATOM 1832 CA THR A 119 13.093 -3.432 -7.722 1.00 0.00 C ATOM 1833 C THR A 119 13.154 -4.954 -7.861 1.00 0.00 C ATOM 1834 O THR A 119 13.058 -5.678 -6.891 1.00 0.00 O ATOM 1835 CB THR A 119 14.499 -2.862 -7.510 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.562 -2.194 -6.256 1.00 0.00 O ATOM 1837 CG2 THR A 119 14.828 -1.876 -8.633 1.00 0.00 C ATOM 0 H THR A 119 12.310 -3.763 -5.762 1.00 0.00 H new ATOM 0 HA THR A 119 12.629 -3.044 -8.629 1.00 0.00 H new ATOM 0 HB THR A 119 15.223 -3.677 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.463 -1.832 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 119 15.829 -1.472 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.787 -2.391 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.103 -1.062 -8.627 1.00 0.00 H new ATOM 1845 N ALA A 120 13.320 -5.444 -9.061 1.00 0.00 N ATOM 1846 CA ALA A 120 13.398 -6.921 -9.266 1.00 0.00 C ATOM 1847 C ALA A 120 13.282 -7.254 -10.756 1.00 0.00 C ATOM 1848 O ALA A 120 14.213 -7.838 -11.285 1.00 0.00 O ATOM 1849 CB ALA A 120 12.213 -7.505 -8.494 1.00 0.00 C ATOM 1850 OXT ALA A 120 12.265 -6.920 -11.341 1.00 0.00 O ATOM 0 H ALA A 120 13.405 -4.885 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 120 14.346 -7.331 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.208 -8.590 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 120 12.302 -7.245 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.283 -7.097 -8.891 1.00 0.00 H new