USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 776 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 67 TYR OH : rot -132:sc= 0.138 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 ASN : amide:sc= 0.524 K(o=1.8,f=-3.2!) USER MOD Set 2.2: A 74 TYR OH : rot 39:sc= 1.26 USER MOD Set 3.1: A 19 THR OG1 : rot 98:sc= 1.09 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.2 K(o=2.3,f=-0.91!) USER MOD Set 4.1: A 1 GLY N :NH3+ -167:sc= 0.0621 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 80:sc= 1.31 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 24:sc= 1.14 USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 12 THR OG1 : rot -53:sc= 0.143 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.115 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 18 HIS : no HE2:sc= 0.602 K(o=0.6,f=-2.3!) USER MOD Single : A 26 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.93) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 2.07 (180deg=2.06) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.389 F(o=-0.93,f=-0.39) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 40 SER OG : rot 94:sc= 1.55 USER MOD Single : A 42 GLN : amide:sc= 0.999 K(o=1,f=-5!) USER MOD Single : A 46 TYR OH : rot 171:sc= 1.11 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.0256 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.07 F(o=-2.8,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 0.629 (180deg=-0.676!) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 2.43 (180deg=1.86) USER MOD Single : A 56 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.057) USER MOD Single : A 62 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 64 MET CE :methyl -176:sc= 0 (180deg=-0.0164) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= -0.27 K(o=-0.27,f=-3.9!) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 1.79 (180deg=1.67) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0159) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 171:sc= -0.0968 (180deg=-0.167) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.15) USER MOD Single : A 92 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.46) USER MOD Single : A 97 TYR OH : rot 151:sc= 1.43 USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 0.726 (180deg=-0.946!) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 1.45 (180deg=0.754) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.436 -9.760 -0.187 1.00 0.00 N ATOM 85 CA GLY A 1 -13.993 -8.886 -1.207 1.00 0.00 C ATOM 86 C GLY A 1 -13.879 -9.456 -2.615 1.00 0.00 C ATOM 87 O GLY A 1 -13.781 -10.659 -2.837 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.734 -9.431 0.753 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.777 -10.731 -0.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.398 -9.744 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.043 -8.699 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.483 -7.924 -1.169 1.00 0.00 H new ATOM 91 N SER A 2 -13.894 -8.554 -3.585 1.00 0.00 N ATOM 92 CA SER A 2 -13.782 -8.814 -5.018 1.00 0.00 C ATOM 93 C SER A 2 -12.706 -7.922 -5.628 1.00 0.00 C ATOM 94 O SER A 2 -12.801 -6.695 -5.585 1.00 0.00 O ATOM 95 CB SER A 2 -15.122 -8.560 -5.703 1.00 0.00 C ATOM 96 OG SER A 2 -15.030 -8.833 -7.092 1.00 0.00 O ATOM 0 H SER A 2 -13.991 -7.559 -3.383 1.00 0.00 H new ATOM 0 HA SER A 2 -13.502 -9.857 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.892 -9.187 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.425 -7.524 -5.549 1.00 0.00 H new ATOM 0 HG SER A 2 -15.898 -8.667 -7.516 1.00 0.00 H new ATOM 102 N ALA A 3 -11.682 -8.528 -6.239 1.00 0.00 N ATOM 103 CA ALA A 3 -10.552 -7.797 -6.825 1.00 0.00 C ATOM 104 C ALA A 3 -10.950 -6.700 -7.844 1.00 0.00 C ATOM 105 O ALA A 3 -10.203 -5.744 -8.051 1.00 0.00 O ATOM 106 CB ALA A 3 -9.580 -8.815 -7.435 1.00 0.00 C ATOM 0 H ALA A 3 -11.613 -9.540 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.070 -7.241 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.733 -8.290 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.224 -9.490 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.092 -9.390 -8.207 1.00 0.00 H new ATOM 112 N LYS A 4 -12.154 -6.773 -8.437 1.00 0.00 N ATOM 113 CA LYS A 4 -12.695 -5.707 -9.294 1.00 0.00 C ATOM 114 C LYS A 4 -13.105 -4.439 -8.539 1.00 0.00 C ATOM 115 O LYS A 4 -12.863 -3.337 -9.024 1.00 0.00 O ATOM 116 CB LYS A 4 -13.831 -6.260 -10.175 1.00 0.00 C ATOM 117 CG LYS A 4 -14.019 -5.435 -11.461 1.00 0.00 C ATOM 118 CD LYS A 4 -15.229 -5.933 -12.270 1.00 0.00 C ATOM 119 CE LYS A 4 -15.373 -5.196 -13.611 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.474 -5.741 -14.664 1.00 0.00 N ATOM 0 H LYS A 4 -12.778 -7.573 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.879 -5.380 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.615 -7.296 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.761 -6.263 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.157 -4.384 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.119 -5.499 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.126 -7.002 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.137 -5.797 -11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.407 -5.265 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.155 -4.138 -13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.611 -5.209 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.485 -5.652 -14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.697 -6.744 -14.826 1.00 0.00 H new ATOM 134 N LYS A 5 -13.685 -4.606 -7.353 1.00 0.00 N ATOM 135 CA LYS A 5 -14.102 -3.515 -6.446 1.00 0.00 C ATOM 136 C LYS A 5 -12.896 -2.691 -5.998 1.00 0.00 C ATOM 137 O LYS A 5 -12.904 -1.469 -6.141 1.00 0.00 O ATOM 138 CB LYS A 5 -14.876 -4.039 -5.220 1.00 0.00 C ATOM 139 CG LYS A 5 -16.357 -4.328 -5.511 1.00 0.00 C ATOM 140 CD LYS A 5 -17.073 -4.809 -4.234 1.00 0.00 C ATOM 141 CE LYS A 5 -18.602 -4.740 -4.320 1.00 0.00 C ATOM 142 NZ LYS A 5 -19.155 -5.741 -5.266 1.00 0.00 N ATOM 0 H LYS A 5 -13.889 -5.531 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.779 -2.875 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.399 -4.951 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.808 -3.306 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.842 -3.428 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.440 -5.087 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.776 -5.837 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.738 -4.205 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.028 -4.904 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.902 -3.740 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.191 -5.658 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.770 -5.570 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.892 -6.697 -4.953 1.00 0.00 H new ATOM 156 N GLY A 6 -11.843 -3.361 -5.524 1.00 0.00 N ATOM 157 CA GLY A 6 -10.575 -2.709 -5.180 1.00 0.00 C ATOM 158 C GLY A 6 -9.945 -1.933 -6.346 1.00 0.00 C ATOM 159 O GLY A 6 -9.496 -0.805 -6.154 1.00 0.00 O ATOM 0 H GLY A 6 -11.844 -4.369 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.742 -2.025 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.870 -3.465 -4.835 1.00 0.00 H new ATOM 163 N ALA A 7 -9.984 -2.471 -7.572 1.00 0.00 N ATOM 164 CA ALA A 7 -9.508 -1.768 -8.769 1.00 0.00 C ATOM 165 C ALA A 7 -10.244 -0.439 -9.031 1.00 0.00 C ATOM 166 O ALA A 7 -9.611 0.585 -9.308 1.00 0.00 O ATOM 167 CB ALA A 7 -9.603 -2.708 -9.979 1.00 0.00 C ATOM 0 H ALA A 7 -10.346 -3.405 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.468 -1.492 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.250 -2.190 -10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.987 -3.590 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.640 -3.013 -10.123 1.00 0.00 H new ATOM 173 N THR A 8 -11.579 -0.444 -8.940 1.00 0.00 N ATOM 174 CA THR A 8 -12.406 0.772 -9.039 1.00 0.00 C ATOM 175 C THR A 8 -12.197 1.755 -7.882 1.00 0.00 C ATOM 176 O THR A 8 -12.270 2.961 -8.101 1.00 0.00 O ATOM 177 CB THR A 8 -13.903 0.436 -9.169 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.295 -0.648 -8.353 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.237 0.029 -10.603 1.00 0.00 C ATOM 0 H THR A 8 -12.122 -1.295 -8.795 1.00 0.00 H new ATOM 0 HA THR A 8 -12.067 1.268 -9.949 1.00 0.00 H new ATOM 0 HB THR A 8 -14.430 1.340 -8.863 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.667 -0.739 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.299 -0.205 -10.677 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.998 0.850 -11.279 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.652 -0.849 -10.878 1.00 0.00 H new ATOM 187 N LEU A 9 -11.877 1.272 -6.675 1.00 0.00 N ATOM 188 CA LEU A 9 -11.575 2.103 -5.502 1.00 0.00 C ATOM 189 C LEU A 9 -10.236 2.797 -5.709 1.00 0.00 C ATOM 190 O LEU A 9 -10.168 4.017 -5.780 1.00 0.00 O ATOM 191 CB LEU A 9 -11.543 1.256 -4.214 1.00 0.00 C ATOM 192 CG LEU A 9 -12.945 0.967 -3.668 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.903 -0.223 -2.709 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.519 2.172 -2.913 1.00 0.00 C ATOM 0 H LEU A 9 -11.820 0.272 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.362 2.849 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.033 0.314 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.961 1.777 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.583 0.747 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.905 -0.419 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.538 -1.104 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.236 0.003 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.514 1.928 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.869 2.419 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.583 3.027 -3.587 1.00 0.00 H new ATOM 206 N PHE A 10 -9.177 2.006 -5.883 1.00 0.00 N ATOM 207 CA PHE A 10 -7.792 2.418 -6.120 1.00 0.00 C ATOM 208 C PHE A 10 -7.694 3.568 -7.125 1.00 0.00 C ATOM 209 O PHE A 10 -6.983 4.548 -6.885 1.00 0.00 O ATOM 210 CB PHE A 10 -7.015 1.188 -6.608 1.00 0.00 C ATOM 211 CG PHE A 10 -5.564 1.424 -6.983 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.566 1.417 -5.992 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.199 1.579 -8.335 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.221 1.621 -6.349 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.842 1.699 -8.689 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.854 1.748 -7.695 1.00 0.00 C ATOM 0 H PHE A 10 -9.270 0.990 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.363 2.796 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.049 0.428 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.532 0.777 -7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.832 1.255 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.961 1.606 -9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.465 1.680 -5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.561 1.754 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.817 1.883 -7.965 1.00 0.00 H new ATOM 226 N LYS A 11 -8.454 3.491 -8.226 1.00 0.00 N ATOM 227 CA LYS A 11 -8.483 4.482 -9.301 1.00 0.00 C ATOM 228 C LYS A 11 -8.925 5.893 -8.872 1.00 0.00 C ATOM 229 O LYS A 11 -8.602 6.847 -9.567 1.00 0.00 O ATOM 230 CB LYS A 11 -9.362 3.885 -10.412 1.00 0.00 C ATOM 231 CG LYS A 11 -8.486 3.412 -11.581 1.00 0.00 C ATOM 232 CD LYS A 11 -9.263 2.608 -12.631 1.00 0.00 C ATOM 233 CE LYS A 11 -8.349 2.156 -13.786 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.340 1.146 -13.364 1.00 0.00 N ATOM 0 H LYS A 11 -9.086 2.708 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.467 4.663 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.940 3.049 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.077 4.630 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.031 4.279 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.672 2.799 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.715 1.735 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.077 3.215 -13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.961 1.739 -14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.836 3.025 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.810 0.816 -14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.682 1.576 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.822 0.339 -12.918 1.00 0.00 H new ATOM 248 N THR A 12 -9.582 6.021 -7.716 1.00 0.00 N ATOM 249 CA THR A 12 -10.022 7.268 -7.061 1.00 0.00 C ATOM 250 C THR A 12 -9.794 7.216 -5.529 1.00 0.00 C ATOM 251 O THR A 12 -10.597 7.658 -4.704 1.00 0.00 O ATOM 252 CB THR A 12 -11.453 7.604 -7.514 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.865 8.858 -7.028 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.501 6.559 -7.130 1.00 0.00 C ATOM 0 H THR A 12 -9.842 5.200 -7.169 1.00 0.00 H new ATOM 0 HA THR A 12 -9.405 8.108 -7.379 1.00 0.00 H new ATOM 0 HB THR A 12 -11.394 7.617 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.741 8.889 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.480 6.877 -7.489 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.242 5.601 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.529 6.453 -6.046 1.00 0.00 H new ATOM 262 N ARG A 13 -8.660 6.617 -5.132 1.00 0.00 N ATOM 263 CA ARG A 13 -8.092 6.604 -3.767 1.00 0.00 C ATOM 264 C ARG A 13 -6.563 6.715 -3.749 1.00 0.00 C ATOM 265 O ARG A 13 -6.016 7.330 -2.842 1.00 0.00 O ATOM 266 CB ARG A 13 -8.474 5.304 -3.033 1.00 0.00 C ATOM 267 CG ARG A 13 -9.964 5.074 -2.770 1.00 0.00 C ATOM 268 CD ARG A 13 -10.582 6.046 -1.766 1.00 0.00 C ATOM 269 NE ARG A 13 -11.994 5.691 -1.541 1.00 0.00 N ATOM 270 CZ ARG A 13 -13.023 5.962 -2.323 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.926 6.694 -3.398 1.00 0.00 N ATOM 272 NH2 ARG A 13 -14.192 5.462 -2.037 1.00 0.00 N ATOM 0 H ARG A 13 -8.079 6.098 -5.790 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.511 7.478 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.097 4.462 -3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.953 5.289 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.504 5.152 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.104 4.056 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.033 6.011 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.508 7.067 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.200 5.178 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.024 7.087 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.752 6.874 -3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.305 4.868 -1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.994 5.665 -2.634 1.00 0.00 H new ATOM 286 N CYS A 14 -5.880 6.072 -4.701 1.00 0.00 N ATOM 287 CA CYS A 14 -4.449 5.763 -4.596 1.00 0.00 C ATOM 288 C CYS A 14 -3.669 5.979 -5.897 1.00 0.00 C ATOM 289 O CYS A 14 -2.500 6.361 -5.845 1.00 0.00 O ATOM 290 CB CYS A 14 -4.280 4.290 -4.218 1.00 0.00 C ATOM 291 SG CYS A 14 -5.413 3.597 -2.978 1.00 0.00 S ATOM 0 H CYS A 14 -6.305 5.749 -5.570 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.052 6.445 -3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.377 3.698 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.262 4.152 -3.855 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.129 2.344 -2.783 1.00 0.00 H new ATOM 296 N LEU A 15 -4.285 5.771 -7.071 1.00 0.00 N ATOM 297 CA LEU A 15 -3.628 5.830 -8.389 1.00 0.00 C ATOM 298 C LEU A 15 -2.918 7.172 -8.692 1.00 0.00 C ATOM 299 O LEU A 15 -1.939 7.201 -9.441 1.00 0.00 O ATOM 300 CB LEU A 15 -4.674 5.456 -9.453 1.00 0.00 C ATOM 301 CG LEU A 15 -4.136 5.445 -10.893 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.099 4.361 -11.178 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.283 5.237 -11.875 1.00 0.00 C ATOM 0 H LEU A 15 -5.279 5.551 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.808 5.112 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.075 4.470 -9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.504 6.160 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.648 6.412 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.777 4.430 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.240 4.498 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.539 3.380 -10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.894 5.230 -12.893 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.772 4.285 -11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.005 6.047 -11.768 1.00 0.00 H new ATOM 315 N GLN A 16 -3.335 8.257 -8.039 1.00 0.00 N ATOM 316 CA GLN A 16 -2.622 9.536 -7.984 1.00 0.00 C ATOM 317 C GLN A 16 -1.135 9.426 -7.576 1.00 0.00 C ATOM 318 O GLN A 16 -0.295 10.115 -8.146 1.00 0.00 O ATOM 319 CB GLN A 16 -3.412 10.476 -7.058 1.00 0.00 C ATOM 320 CG GLN A 16 -3.530 9.974 -5.604 1.00 0.00 C ATOM 321 CD GLN A 16 -4.689 10.636 -4.881 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.808 10.152 -4.910 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.473 11.756 -4.226 1.00 0.00 N ATOM 0 H GLN A 16 -4.210 8.271 -7.515 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.575 9.942 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.932 11.454 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.413 10.614 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.667 8.893 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.602 10.179 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.537 12.160 -4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.242 12.220 -3.742 1.00 0.00 H new ATOM 332 N CYS A 17 -0.787 8.530 -6.645 1.00 0.00 N ATOM 333 CA CYS A 17 0.550 8.440 -6.034 1.00 0.00 C ATOM 334 C CYS A 17 1.249 7.092 -6.240 1.00 0.00 C ATOM 335 O CYS A 17 2.414 6.964 -5.872 1.00 0.00 O ATOM 336 CB CYS A 17 0.463 8.728 -4.534 1.00 0.00 C ATOM 337 SG CYS A 17 0.021 10.436 -4.088 1.00 0.00 S ATOM 0 H CYS A 17 -1.438 7.832 -6.286 1.00 0.00 H new ATOM 0 HA CYS A 17 1.154 9.189 -6.546 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.273 8.054 -4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.425 8.490 -4.080 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.022 10.549 -2.794 1.00 0.00 H new ATOM 342 N HIS A 18 0.558 6.091 -6.798 1.00 0.00 N ATOM 343 CA HIS A 18 1.031 4.706 -6.931 1.00 0.00 C ATOM 344 C HIS A 18 0.657 4.039 -8.268 1.00 0.00 C ATOM 345 O HIS A 18 -0.097 4.580 -9.081 1.00 0.00 O ATOM 346 CB HIS A 18 0.435 3.893 -5.774 1.00 0.00 C ATOM 347 CG HIS A 18 1.078 4.176 -4.448 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.317 3.735 -4.046 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.508 4.847 -3.401 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.487 4.123 -2.774 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.408 4.801 -2.338 1.00 0.00 N ATOM 0 H HIS A 18 -0.377 6.226 -7.182 1.00 0.00 H new ATOM 0 HA HIS A 18 2.120 4.729 -6.904 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.632 4.105 -5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.535 2.831 -5.998 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.984 3.210 -4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.461 5.324 -3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.367 3.920 -2.181 1.00 0.00 H new ATOM 359 N THR A 19 1.166 2.829 -8.473 1.00 0.00 N ATOM 360 CA THR A 19 0.873 1.885 -9.566 1.00 0.00 C ATOM 361 C THR A 19 0.600 0.487 -8.987 1.00 0.00 C ATOM 362 O THR A 19 1.012 0.202 -7.863 1.00 0.00 O ATOM 363 CB THR A 19 2.031 1.858 -10.565 1.00 0.00 C ATOM 364 OG1 THR A 19 3.260 1.806 -9.887 1.00 0.00 O ATOM 365 CG2 THR A 19 2.077 3.112 -11.441 1.00 0.00 C ATOM 0 H THR A 19 1.855 2.442 -7.827 1.00 0.00 H new ATOM 0 HA THR A 19 -0.019 2.213 -10.099 1.00 0.00 H new ATOM 0 HB THR A 19 1.868 0.977 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.573 0.878 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.917 3.042 -12.132 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.148 3.196 -12.006 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.199 3.992 -10.810 1.00 0.00 H new ATOM 373 N VAL A 20 -0.131 -0.356 -9.717 1.00 0.00 N ATOM 374 CA VAL A 20 -0.518 -1.746 -9.365 1.00 0.00 C ATOM 375 C VAL A 20 0.048 -2.781 -10.353 1.00 0.00 C ATOM 376 O VAL A 20 0.056 -3.989 -10.116 1.00 0.00 O ATOM 377 CB VAL A 20 -2.055 -1.828 -9.280 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.750 -1.517 -10.615 1.00 0.00 C ATOM 379 CG2 VAL A 20 -2.537 -3.185 -8.769 1.00 0.00 C ATOM 0 H VAL A 20 -0.497 -0.081 -10.628 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.084 -1.993 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.335 -1.057 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.830 -1.591 -10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.491 -0.507 -10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.423 -2.231 -11.371 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.626 -3.192 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.195 -3.970 -9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.135 -3.362 -7.772 1.00 0.00 H new ATOM 389 N GLU A 21 0.526 -2.274 -11.479 1.00 0.00 N ATOM 390 CA GLU A 21 1.148 -2.963 -12.590 1.00 0.00 C ATOM 391 C GLU A 21 2.595 -3.371 -12.254 1.00 0.00 C ATOM 392 O GLU A 21 3.234 -2.861 -11.334 1.00 0.00 O ATOM 393 CB GLU A 21 1.118 -2.036 -13.817 1.00 0.00 C ATOM 394 CG GLU A 21 -0.252 -1.414 -14.202 1.00 0.00 C ATOM 395 CD GLU A 21 -0.837 -0.307 -13.286 1.00 0.00 C ATOM 396 OE1 GLU A 21 -0.105 0.255 -12.431 1.00 0.00 O ATOM 397 OE2 GLU A 21 -2.052 -0.031 -13.413 1.00 0.00 O ATOM 0 H GLU A 21 0.481 -1.269 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 21 0.596 -3.879 -12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.822 -1.222 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.487 -2.598 -14.675 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.160 -1.001 -15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.982 -2.222 -14.255 1.00 0.00 H new ATOM 440 N PRO A 25 6.043 3.045 -13.300 1.00 0.00 N ATOM 441 CA PRO A 25 6.918 4.132 -12.875 1.00 0.00 C ATOM 442 C PRO A 25 6.675 4.536 -11.415 1.00 0.00 C ATOM 443 O PRO A 25 5.555 4.857 -11.022 1.00 0.00 O ATOM 444 CB PRO A 25 6.663 5.280 -13.860 1.00 0.00 C ATOM 445 CG PRO A 25 5.252 5.008 -14.379 1.00 0.00 C ATOM 446 CD PRO A 25 5.189 3.482 -14.396 1.00 0.00 C ATOM 0 HA PRO A 25 7.965 3.830 -12.896 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.728 6.251 -13.369 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.393 5.283 -14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.491 5.437 -13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.097 5.431 -15.372 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.166 3.130 -14.261 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.540 3.085 -15.349 1.00 0.00 H new ATOM 454 N HIS A 26 7.755 4.563 -10.634 1.00 0.00 N ATOM 455 CA HIS A 26 7.832 5.084 -9.270 1.00 0.00 C ATOM 456 C HIS A 26 7.378 6.552 -9.183 1.00 0.00 C ATOM 457 O HIS A 26 8.118 7.465 -9.537 1.00 0.00 O ATOM 458 CB HIS A 26 9.278 4.910 -8.784 1.00 0.00 C ATOM 459 CG HIS A 26 9.678 3.483 -8.490 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.851 2.376 -8.447 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.900 3.106 -7.998 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.549 1.373 -7.885 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.781 1.782 -7.574 1.00 0.00 N ATOM 0 H HIS A 26 8.652 4.200 -10.956 1.00 0.00 H new ATOM 0 HA HIS A 26 7.150 4.528 -8.627 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.952 5.313 -9.540 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.418 5.505 -7.882 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.788 3.718 -7.948 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.167 0.378 -7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.502 1.229 -7.112 1.00 0.00 H new ATOM 471 N LYS A 27 6.134 6.764 -8.747 1.00 0.00 N ATOM 472 CA LYS A 27 5.468 8.051 -8.492 1.00 0.00 C ATOM 473 C LYS A 27 5.861 8.621 -7.113 1.00 0.00 C ATOM 474 O LYS A 27 6.858 8.225 -6.504 1.00 0.00 O ATOM 475 CB LYS A 27 3.950 7.793 -8.608 1.00 0.00 C ATOM 476 CG LYS A 27 3.441 7.598 -10.040 1.00 0.00 C ATOM 477 CD LYS A 27 1.960 7.209 -9.970 1.00 0.00 C ATOM 478 CE LYS A 27 1.385 6.891 -11.348 1.00 0.00 C ATOM 479 NZ LYS A 27 0.028 6.309 -11.211 1.00 0.00 N ATOM 0 H LYS A 27 5.514 5.980 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 27 5.777 8.805 -9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.700 6.907 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.417 8.631 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.567 8.514 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.015 6.822 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.844 6.342 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.392 8.023 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.341 7.798 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.038 6.192 -11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.348 6.080 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.078 5.442 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.599 6.996 -10.745 1.00 0.00 H new ATOM 493 N VAL A 28 5.024 9.534 -6.603 1.00 0.00 N ATOM 494 CA VAL A 28 5.009 10.071 -5.229 1.00 0.00 C ATOM 495 C VAL A 28 5.242 8.991 -4.161 1.00 0.00 C ATOM 496 O VAL A 28 5.928 9.270 -3.183 1.00 0.00 O ATOM 497 CB VAL A 28 3.685 10.817 -4.951 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.733 11.607 -3.636 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.318 11.806 -6.067 1.00 0.00 C ATOM 0 H VAL A 28 4.288 9.947 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 28 5.842 10.771 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 28 2.931 10.032 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.781 12.115 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.918 10.923 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.534 12.344 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.379 12.302 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.107 12.551 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.207 11.268 -7.008 1.00 0.00 H new ATOM 509 N GLY A 29 4.734 7.769 -4.371 1.00 0.00 N ATOM 510 CA GLY A 29 5.143 6.534 -3.694 1.00 0.00 C ATOM 511 C GLY A 29 5.465 5.387 -4.682 1.00 0.00 C ATOM 512 O GLY A 29 5.294 5.549 -5.899 1.00 0.00 O ATOM 0 H GLY A 29 3.991 7.609 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.021 6.735 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.348 6.214 -3.020 1.00 0.00 H new ATOM 516 N PRO A 30 5.962 4.232 -4.188 1.00 0.00 N ATOM 517 CA PRO A 30 6.464 3.131 -5.026 1.00 0.00 C ATOM 518 C PRO A 30 5.442 2.388 -5.913 1.00 0.00 C ATOM 519 O PRO A 30 4.253 2.698 -5.976 1.00 0.00 O ATOM 520 CB PRO A 30 7.149 2.155 -4.059 1.00 0.00 C ATOM 521 CG PRO A 30 7.436 2.975 -2.805 1.00 0.00 C ATOM 522 CD PRO A 30 6.282 3.969 -2.787 1.00 0.00 C ATOM 0 HA PRO A 30 7.128 3.571 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.505 1.304 -3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.068 1.755 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.450 2.354 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.402 3.476 -2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.421 3.559 -2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.564 4.887 -2.271 1.00 0.00 H new ATOM 530 N ASN A 31 5.939 1.376 -6.631 1.00 0.00 N ATOM 531 CA ASN A 31 5.160 0.417 -7.415 1.00 0.00 C ATOM 532 C ASN A 31 4.588 -0.711 -6.520 1.00 0.00 C ATOM 533 O ASN A 31 5.345 -1.546 -6.037 1.00 0.00 O ATOM 534 CB ASN A 31 6.090 -0.115 -8.526 1.00 0.00 C ATOM 535 CG ASN A 31 5.326 -0.904 -9.558 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.628 -0.347 -10.387 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.361 -2.207 -9.537 1.00 0.00 N ATOM 0 H ASN A 31 6.942 1.196 -6.683 1.00 0.00 H new ATOM 0 HA ASN A 31 4.288 0.892 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.597 0.721 -9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.862 -0.745 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.810 -2.743 -10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.940 -2.691 -8.850 1.00 0.00 H new ATOM 544 N LEU A 32 3.267 -0.773 -6.298 1.00 0.00 N ATOM 545 CA LEU A 32 2.595 -1.672 -5.331 1.00 0.00 C ATOM 546 C LEU A 32 2.279 -3.076 -5.896 1.00 0.00 C ATOM 547 O LEU A 32 1.387 -3.783 -5.430 1.00 0.00 O ATOM 548 CB LEU A 32 1.334 -0.992 -4.759 1.00 0.00 C ATOM 549 CG LEU A 32 1.575 0.291 -3.944 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.219 0.918 -3.608 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.301 -0.005 -2.643 1.00 0.00 C ATOM 0 H LEU A 32 2.608 -0.180 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 32 3.305 -1.846 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.666 -0.754 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.813 -1.710 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 32 2.190 0.966 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.373 1.829 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.309 1.158 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.373 0.213 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.455 0.923 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.704 -0.689 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.266 -0.462 -2.861 1.00 0.00 H new ATOM 563 N HIS A 33 3.043 -3.492 -6.898 1.00 0.00 N ATOM 564 CA HIS A 33 3.115 -4.862 -7.393 1.00 0.00 C ATOM 565 C HIS A 33 4.353 -5.557 -6.819 1.00 0.00 C ATOM 566 O HIS A 33 5.477 -5.235 -7.205 1.00 0.00 O ATOM 567 CB HIS A 33 3.178 -4.834 -8.917 1.00 0.00 C ATOM 568 CG HIS A 33 3.165 -6.195 -9.541 1.00 0.00 C ATOM 569 ND1 HIS A 33 4.216 -7.068 -9.606 1.00 0.00 N flip ATOM 570 CD2 HIS A 33 2.087 -6.785 -10.143 1.00 0.00 C flip ATOM 571 CE1 HIS A 33 3.766 -8.214 -10.269 1.00 0.00 C flip ATOM 572 NE2 HIS A 33 2.469 -8.003 -10.560 1.00 0.00 N flip ATOM 0 H HIS A 33 3.656 -2.857 -7.410 1.00 0.00 H new ATOM 0 HA HIS A 33 2.232 -5.418 -7.079 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.332 -4.261 -9.297 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.083 -4.310 -9.226 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.106 -6.350 -10.261 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.345 -9.095 -10.502 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.862 -8.674 -11.031 1.00 0.00 H new ATOM 580 N GLY A 34 4.165 -6.537 -5.940 1.00 0.00 N ATOM 581 CA GLY A 34 5.272 -7.336 -5.393 1.00 0.00 C ATOM 582 C GLY A 34 5.747 -6.910 -4.006 1.00 0.00 C ATOM 583 O GLY A 34 6.759 -7.423 -3.534 1.00 0.00 O ATOM 0 H GLY A 34 3.247 -6.804 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.961 -8.380 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.115 -7.283 -6.082 1.00 0.00 H new ATOM 587 N ILE A 35 5.028 -6.003 -3.333 1.00 0.00 N ATOM 588 CA ILE A 35 5.318 -5.670 -1.933 1.00 0.00 C ATOM 589 C ILE A 35 5.026 -6.850 -0.995 1.00 0.00 C ATOM 590 O ILE A 35 5.757 -7.029 -0.028 1.00 0.00 O ATOM 591 CB ILE A 35 4.622 -4.367 -1.471 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.105 -4.458 -1.189 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.959 -3.206 -2.424 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.202 -4.760 -2.389 1.00 0.00 C ATOM 0 H ILE A 35 4.244 -5.488 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 35 6.389 -5.474 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 35 5.042 -4.170 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.944 -5.231 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.783 -3.514 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.461 -2.299 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.037 -3.046 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.618 -3.451 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.163 -4.798 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.318 -3.977 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.481 -5.720 -2.822 1.00 0.00 H new ATOM 606 N PHE A 36 4.010 -7.667 -1.300 1.00 0.00 N ATOM 607 CA PHE A 36 3.531 -8.795 -0.493 1.00 0.00 C ATOM 608 C PHE A 36 4.610 -9.843 -0.205 1.00 0.00 C ATOM 609 O PHE A 36 5.079 -10.537 -1.109 1.00 0.00 O ATOM 610 CB PHE A 36 2.299 -9.441 -1.143 1.00 0.00 C ATOM 611 CG PHE A 36 1.020 -8.697 -0.829 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.436 -8.848 0.442 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.443 -7.817 -1.764 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.701 -8.104 0.787 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.690 -7.064 -1.409 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.260 -7.200 -0.129 1.00 0.00 C ATOM 0 H PHE A 36 3.473 -7.553 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 36 3.249 -8.380 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.439 -9.476 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.210 -10.472 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.864 -9.538 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.870 -7.721 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.149 -8.227 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.125 -6.378 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.123 -6.612 0.146 1.00 0.00 H new ATOM 626 N GLY A 37 4.980 -9.951 1.074 1.00 0.00 N ATOM 627 CA GLY A 37 6.055 -10.810 1.573 1.00 0.00 C ATOM 628 C GLY A 37 7.442 -10.158 1.539 1.00 0.00 C ATOM 629 O GLY A 37 8.433 -10.802 1.886 1.00 0.00 O ATOM 0 H GLY A 37 4.522 -9.423 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.827 -11.101 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.080 -11.724 0.980 1.00 0.00 H new ATOM 633 N ARG A 38 7.547 -8.883 1.137 1.00 0.00 N ATOM 634 CA ARG A 38 8.750 -8.048 1.256 1.00 0.00 C ATOM 635 C ARG A 38 8.633 -7.124 2.474 1.00 0.00 C ATOM 636 O ARG A 38 7.605 -7.069 3.140 1.00 0.00 O ATOM 637 CB ARG A 38 8.962 -7.277 -0.067 1.00 0.00 C ATOM 638 CG ARG A 38 10.433 -7.068 -0.447 1.00 0.00 C ATOM 639 CD ARG A 38 11.078 -8.358 -0.966 1.00 0.00 C ATOM 640 NE ARG A 38 12.548 -8.234 -0.996 1.00 0.00 N ATOM 641 CZ ARG A 38 13.414 -8.922 -1.712 1.00 0.00 C ATOM 642 NH1 ARG A 38 13.038 -9.846 -2.550 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.689 -8.684 -1.587 1.00 0.00 N ATOM 0 H ARG A 38 6.768 -8.387 0.704 1.00 0.00 H new ATOM 0 HA ARG A 38 9.631 -8.668 1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.464 -7.817 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.477 -6.304 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.504 -6.294 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.985 -6.710 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.792 -9.195 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.707 -8.578 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 38 12.946 -7.523 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.047 -10.055 -2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.735 -10.360 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.013 -7.968 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.363 -9.214 -2.139 1.00 0.00 H new ATOM 657 N HIS A 39 9.715 -6.416 2.769 1.00 0.00 N ATOM 658 CA HIS A 39 9.815 -5.516 3.915 1.00 0.00 C ATOM 659 C HIS A 39 9.699 -4.052 3.460 1.00 0.00 C ATOM 660 O HIS A 39 10.132 -3.711 2.357 1.00 0.00 O ATOM 661 CB HIS A 39 11.153 -5.744 4.634 1.00 0.00 C ATOM 662 CG HIS A 39 11.320 -7.128 5.217 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.808 -8.241 4.563 1.00 0.00 N ATOM 664 CD2 HIS A 39 11.038 -7.495 6.506 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.811 -9.259 5.441 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.362 -8.849 6.632 1.00 0.00 N ATOM 0 H HIS A 39 10.566 -6.451 2.208 1.00 0.00 H new ATOM 0 HA HIS A 39 8.997 -5.727 4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.965 -5.558 3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.251 -5.011 5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.639 -6.857 7.281 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.131 -10.266 5.216 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.273 -9.417 7.474 1.00 0.00 H new ATOM 674 N SER A 40 9.176 -3.174 4.319 1.00 0.00 N ATOM 675 CA SER A 40 9.028 -1.740 4.059 1.00 0.00 C ATOM 676 C SER A 40 10.382 -1.067 3.762 1.00 0.00 C ATOM 677 O SER A 40 11.279 -1.034 4.610 1.00 0.00 O ATOM 678 CB SER A 40 8.256 -1.064 5.206 1.00 0.00 C ATOM 679 OG SER A 40 8.958 -1.029 6.435 1.00 0.00 O ATOM 0 H SER A 40 8.834 -3.448 5.240 1.00 0.00 H new ATOM 0 HA SER A 40 8.435 -1.612 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.010 -0.044 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.313 -1.590 5.354 1.00 0.00 H new ATOM 0 HG SER A 40 9.444 -0.181 6.510 1.00 0.00 H new ATOM 685 N GLY A 41 10.536 -0.571 2.528 1.00 0.00 N ATOM 686 CA GLY A 41 11.811 -0.052 2.002 1.00 0.00 C ATOM 687 C GLY A 41 12.547 -0.944 0.986 1.00 0.00 C ATOM 688 O GLY A 41 13.773 -0.937 0.993 1.00 0.00 O ATOM 0 H GLY A 41 9.771 -0.517 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.619 0.913 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.479 0.130 2.844 1.00 0.00 H new ATOM 692 N GLN A 42 11.851 -1.746 0.162 1.00 0.00 N ATOM 693 CA GLN A 42 12.465 -2.711 -0.779 1.00 0.00 C ATOM 694 C GLN A 42 11.842 -2.764 -2.201 1.00 0.00 C ATOM 695 O GLN A 42 12.102 -3.717 -2.934 1.00 0.00 O ATOM 696 CB GLN A 42 12.548 -4.110 -0.126 1.00 0.00 C ATOM 697 CG GLN A 42 13.477 -4.131 1.102 1.00 0.00 C ATOM 698 CD GLN A 42 13.925 -5.525 1.546 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.783 -6.533 0.861 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.506 -5.648 2.719 1.00 0.00 N ATOM 0 H GLN A 42 10.832 -1.746 0.127 1.00 0.00 H new ATOM 0 HA GLN A 42 13.470 -2.332 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.549 -4.429 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.906 -4.830 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.362 -3.534 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.966 -3.647 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.638 -4.828 3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.825 -6.563 3.037 1.00 0.00 H new ATOM 741 N TYR A 46 14.044 2.395 -4.674 1.00 0.00 N ATOM 742 CA TYR A 46 13.278 3.546 -4.188 1.00 0.00 C ATOM 743 C TYR A 46 13.735 3.931 -2.764 1.00 0.00 C ATOM 744 O TYR A 46 13.723 3.104 -1.858 1.00 0.00 O ATOM 745 CB TYR A 46 11.769 3.206 -4.303 1.00 0.00 C ATOM 746 CG TYR A 46 10.782 4.368 -4.192 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.838 5.290 -3.131 1.00 0.00 C ATOM 748 CD2 TYR A 46 9.784 4.534 -5.172 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.014 6.430 -3.129 1.00 0.00 C ATOM 750 CE2 TYR A 46 8.945 5.665 -5.173 1.00 0.00 C ATOM 751 CZ TYR A 46 9.088 6.635 -4.168 1.00 0.00 C ATOM 752 OH TYR A 46 8.328 7.755 -4.188 1.00 0.00 O ATOM 0 HA TYR A 46 13.459 4.433 -4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.605 2.714 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.526 2.480 -3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.520 5.121 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.660 3.781 -5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.092 7.150 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.196 5.786 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 46 7.847 7.809 -5.040 1.00 0.00 H new ATOM 762 N SER A 47 14.123 5.196 -2.557 1.00 0.00 N ATOM 763 CA SER A 47 14.378 5.809 -1.236 1.00 0.00 C ATOM 764 C SER A 47 13.079 6.327 -0.589 1.00 0.00 C ATOM 765 O SER A 47 12.576 7.378 -0.975 1.00 0.00 O ATOM 766 CB SER A 47 15.376 6.965 -1.372 1.00 0.00 C ATOM 767 OG SER A 47 16.661 6.460 -1.679 1.00 0.00 O ATOM 0 H SER A 47 14.275 5.847 -3.327 1.00 0.00 H new ATOM 0 HA SER A 47 14.796 5.035 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.048 7.649 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.413 7.536 -0.444 1.00 0.00 H new ATOM 0 HG SER A 47 17.293 7.204 -1.766 1.00 0.00 H new ATOM 773 N TYR A 48 12.504 5.570 0.353 1.00 0.00 N ATOM 774 CA TYR A 48 11.208 5.835 1.006 1.00 0.00 C ATOM 775 C TYR A 48 11.315 6.992 2.034 1.00 0.00 C ATOM 776 O TYR A 48 11.300 8.164 1.671 1.00 0.00 O ATOM 777 CB TYR A 48 10.697 4.545 1.678 1.00 0.00 C ATOM 778 CG TYR A 48 10.243 3.370 0.823 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.028 2.839 -0.215 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.088 2.679 1.208 1.00 0.00 C ATOM 781 CE1 TYR A 48 10.700 1.619 -0.837 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.795 1.433 0.640 1.00 0.00 C ATOM 783 CZ TYR A 48 9.578 0.901 -0.391 1.00 0.00 C ATOM 784 OH TYR A 48 9.292 -0.336 -0.865 1.00 0.00 O ATOM 0 H TYR A 48 12.945 4.718 0.699 1.00 0.00 H new ATOM 0 HA TYR A 48 10.493 6.149 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.491 4.183 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.860 4.823 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.903 3.380 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.423 3.107 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.304 1.240 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.948 0.871 1.005 1.00 0.00 H new ATOM 0 HH TYR A 48 8.477 -0.671 -0.435 1.00 0.00 H new ATOM 794 N THR A 49 11.470 6.665 3.321 1.00 0.00 N ATOM 795 CA THR A 49 11.783 7.539 4.461 1.00 0.00 C ATOM 796 C THR A 49 12.648 6.776 5.462 1.00 0.00 C ATOM 797 O THR A 49 12.596 5.545 5.530 1.00 0.00 O ATOM 798 CB THR A 49 10.526 8.008 5.221 1.00 0.00 C ATOM 799 OG1 THR A 49 9.645 6.932 5.467 1.00 0.00 O ATOM 800 CG2 THR A 49 9.795 9.130 4.495 1.00 0.00 C ATOM 0 H THR A 49 11.371 5.695 3.620 1.00 0.00 H new ATOM 0 HA THR A 49 12.292 8.410 4.050 1.00 0.00 H new ATOM 0 HB THR A 49 10.872 8.404 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.858 7.258 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.917 9.425 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.461 9.986 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.483 8.783 3.510 1.00 0.00 H new ATOM 808 N ASP A 50 13.391 7.506 6.294 1.00 0.00 N ATOM 809 CA ASP A 50 14.124 6.951 7.436 1.00 0.00 C ATOM 810 C ASP A 50 13.220 6.111 8.364 1.00 0.00 C ATOM 811 O ASP A 50 13.519 4.950 8.651 1.00 0.00 O ATOM 812 CB ASP A 50 14.770 8.129 8.173 1.00 0.00 C ATOM 813 CG ASP A 50 15.581 7.663 9.372 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.692 7.125 9.187 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.122 7.828 10.523 1.00 0.00 O ATOM 0 H ASP A 50 13.503 8.515 6.193 1.00 0.00 H new ATOM 0 HA ASP A 50 14.888 6.257 7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.416 8.678 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.995 8.821 8.504 1.00 0.00 H new ATOM 820 N ALA A 51 12.073 6.671 8.762 1.00 0.00 N ATOM 821 CA ALA A 51 11.064 6.014 9.589 1.00 0.00 C ATOM 822 C ALA A 51 10.533 4.704 8.970 1.00 0.00 C ATOM 823 O ALA A 51 10.383 3.712 9.678 1.00 0.00 O ATOM 824 CB ALA A 51 9.936 7.021 9.854 1.00 0.00 C ATOM 0 H ALA A 51 11.816 7.625 8.507 1.00 0.00 H new ATOM 0 HA ALA A 51 11.523 5.710 10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.168 6.554 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.339 7.891 10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.498 7.335 8.906 1.00 0.00 H new ATOM 830 N ASN A 52 10.257 4.669 7.659 1.00 0.00 N ATOM 831 CA ASN A 52 9.782 3.464 6.964 1.00 0.00 C ATOM 832 C ASN A 52 10.825 2.333 6.988 1.00 0.00 C ATOM 833 O ASN A 52 10.480 1.157 7.123 1.00 0.00 O ATOM 834 CB ASN A 52 9.407 3.862 5.528 1.00 0.00 C ATOM 835 CG ASN A 52 9.146 2.687 4.613 1.00 0.00 C ATOM 836 OD1 ASN A 52 10.194 2.111 4.071 1.00 0.00 O flip ATOM 837 ND2 ASN A 52 8.028 2.292 4.338 1.00 0.00 N flip ATOM 0 H ASN A 52 10.357 5.479 7.048 1.00 0.00 H new ATOM 0 HA ASN A 52 8.908 3.067 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.518 4.492 5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.211 4.465 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.212 2.738 4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.907 1.515 3.688 1.00 0.00 H new ATOM 844 N ILE A 53 12.100 2.695 6.824 1.00 0.00 N ATOM 845 CA ILE A 53 13.228 1.764 6.836 1.00 0.00 C ATOM 846 C ILE A 53 13.459 1.226 8.240 1.00 0.00 C ATOM 847 O ILE A 53 13.384 0.020 8.425 1.00 0.00 O ATOM 848 CB ILE A 53 14.486 2.448 6.278 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.295 2.786 4.778 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.745 1.574 6.461 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.299 3.818 4.250 1.00 0.00 C ATOM 0 H ILE A 53 12.381 3.664 6.676 1.00 0.00 H new ATOM 0 HA ILE A 53 12.996 0.915 6.193 1.00 0.00 H new ATOM 0 HB ILE A 53 14.632 3.369 6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.386 1.871 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.284 3.163 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.612 2.094 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.903 1.382 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.610 0.628 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.106 4.006 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.193 4.748 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.312 3.435 4.371 1.00 0.00 H new ATOM 863 N LYS A 54 13.659 2.085 9.248 1.00 0.00 N ATOM 864 CA LYS A 54 13.861 1.675 10.651 1.00 0.00 C ATOM 865 C LYS A 54 12.703 0.866 11.252 1.00 0.00 C ATOM 866 O LYS A 54 12.831 0.345 12.356 1.00 0.00 O ATOM 867 CB LYS A 54 14.155 2.920 11.498 1.00 0.00 C ATOM 868 CG LYS A 54 15.506 3.534 11.111 1.00 0.00 C ATOM 869 CD LYS A 54 15.802 4.769 11.962 1.00 0.00 C ATOM 870 CE LYS A 54 17.181 5.325 11.592 1.00 0.00 C ATOM 871 NZ LYS A 54 17.255 6.775 11.869 1.00 0.00 N ATOM 0 H LYS A 54 13.686 3.096 9.115 1.00 0.00 H new ATOM 0 HA LYS A 54 14.711 0.992 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.363 3.656 11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.161 2.654 12.555 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.298 2.797 11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.498 3.807 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.037 5.528 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.774 4.510 13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.952 4.802 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.381 5.141 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.999 7.203 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.341 7.218 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.477 6.926 12.874 1.00 0.00 H new ATOM 885 N LYS A 55 11.581 0.756 10.530 1.00 0.00 N ATOM 886 CA LYS A 55 10.422 -0.077 10.908 1.00 0.00 C ATOM 887 C LYS A 55 10.419 -1.472 10.261 1.00 0.00 C ATOM 888 O LYS A 55 9.798 -2.356 10.837 1.00 0.00 O ATOM 889 CB LYS A 55 9.121 0.720 10.657 1.00 0.00 C ATOM 890 CG LYS A 55 7.960 0.436 11.634 1.00 0.00 C ATOM 891 CD LYS A 55 6.984 -0.658 11.180 1.00 0.00 C ATOM 892 CE LYS A 55 5.857 -0.881 12.201 1.00 0.00 C ATOM 893 NZ LYS A 55 4.820 0.176 12.146 1.00 0.00 N ATOM 0 H LYS A 55 11.446 1.251 9.649 1.00 0.00 H new ATOM 0 HA LYS A 55 10.496 -0.296 11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.355 1.784 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.778 0.510 9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.379 0.151 12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.401 1.359 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.553 -0.383 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.528 -1.591 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.393 -1.850 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.282 -0.916 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.318 0.218 13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.270 1.094 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.143 -0.041 11.387 1.00 0.00 H new ATOM 907 N ASN A 56 11.071 -1.648 9.099 1.00 0.00 N ATOM 908 CA ASN A 56 11.058 -2.825 8.207 1.00 0.00 C ATOM 909 C ASN A 56 9.841 -3.760 8.396 1.00 0.00 C ATOM 910 O ASN A 56 9.987 -4.945 8.686 1.00 0.00 O ATOM 911 CB ASN A 56 12.410 -3.573 8.273 1.00 0.00 C ATOM 912 CG ASN A 56 13.583 -2.884 7.592 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.716 -2.962 8.030 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.407 -2.247 6.453 1.00 0.00 N ATOM 0 H ASN A 56 11.671 -0.911 8.727 1.00 0.00 H new ATOM 0 HA ASN A 56 10.932 -2.441 7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.665 -3.732 9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.281 -4.558 7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.206 -1.839 5.968 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.471 -2.162 6.056 1.00 0.00 H new ATOM 921 N VAL A 57 8.628 -3.231 8.209 1.00 0.00 N ATOM 922 CA VAL A 57 7.390 -4.013 8.296 1.00 0.00 C ATOM 923 C VAL A 57 7.320 -5.013 7.167 1.00 0.00 C ATOM 924 O VAL A 57 7.485 -4.649 6.007 1.00 0.00 O ATOM 925 CB VAL A 57 6.135 -3.112 8.404 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.066 -3.260 7.317 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.482 -3.423 9.753 1.00 0.00 C ATOM 0 H VAL A 57 8.476 -2.246 7.992 1.00 0.00 H new ATOM 0 HA VAL A 57 7.406 -4.583 9.225 1.00 0.00 H new ATOM 0 HB VAL A 57 6.499 -2.091 8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.246 -2.571 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.502 -3.032 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.688 -4.282 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.589 -2.809 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.206 -4.477 9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.185 -3.204 10.557 1.00 0.00 H new ATOM 937 N LEU A 58 7.108 -6.281 7.515 1.00 0.00 N ATOM 938 CA LEU A 58 6.718 -7.302 6.556 1.00 0.00 C ATOM 939 C LEU A 58 5.304 -6.996 6.042 1.00 0.00 C ATOM 940 O LEU A 58 4.342 -6.909 6.799 1.00 0.00 O ATOM 941 CB LEU A 58 6.831 -8.692 7.201 1.00 0.00 C ATOM 942 CG LEU A 58 6.787 -9.836 6.169 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.078 -9.951 5.351 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.625 -11.168 6.902 1.00 0.00 C ATOM 0 H LEU A 58 7.203 -6.625 8.471 1.00 0.00 H new ATOM 0 HA LEU A 58 7.387 -7.298 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.763 -8.752 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.019 -8.823 7.916 1.00 0.00 H new ATOM 0 HG LEU A 58 5.955 -9.614 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.987 -10.774 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.249 -9.021 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.917 -10.140 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.593 -11.981 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.468 -11.317 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.698 -11.157 7.476 1.00 0.00 H new ATOM 956 N TRP A 59 5.201 -6.744 4.748 1.00 0.00 N ATOM 957 CA TRP A 59 3.944 -6.471 4.056 1.00 0.00 C ATOM 958 C TRP A 59 3.048 -7.719 3.917 1.00 0.00 C ATOM 959 O TRP A 59 2.982 -8.348 2.861 1.00 0.00 O ATOM 960 CB TRP A 59 4.247 -5.804 2.707 1.00 0.00 C ATOM 961 CG TRP A 59 4.853 -4.429 2.763 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.962 -4.013 2.106 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.373 -3.267 3.501 1.00 0.00 C ATOM 964 NE1 TRP A 59 6.147 -2.661 2.318 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.271 -2.186 3.269 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.280 -3.021 4.359 1.00 0.00 C ATOM 967 CZ2 TRP A 59 5.141 -0.951 3.918 1.00 0.00 C ATOM 968 CZ3 TRP A 59 3.097 -1.766 4.963 1.00 0.00 C ATOM 969 CH2 TRP A 59 4.037 -0.734 4.764 1.00 0.00 C ATOM 0 H TRP A 59 6.011 -6.722 4.128 1.00 0.00 H new ATOM 0 HA TRP A 59 3.358 -5.782 4.664 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.922 -6.453 2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.319 -5.746 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.604 -4.643 1.508 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.840 -2.090 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.571 -3.812 4.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.878 -0.176 3.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.231 -1.590 5.584 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.911 0.218 5.258 1.00 0.00 H new ATOM 980 N ASP A 60 2.335 -8.038 4.994 1.00 0.00 N ATOM 981 CA ASP A 60 1.248 -9.028 5.071 1.00 0.00 C ATOM 982 C ASP A 60 -0.107 -8.338 4.813 1.00 0.00 C ATOM 983 O ASP A 60 -0.217 -7.133 5.049 1.00 0.00 O ATOM 984 CB ASP A 60 1.193 -9.669 6.477 1.00 0.00 C ATOM 985 CG ASP A 60 2.538 -9.818 7.204 1.00 0.00 C ATOM 986 OD1 ASP A 60 3.444 -10.462 6.637 1.00 0.00 O ATOM 987 OD2 ASP A 60 2.627 -9.309 8.350 1.00 0.00 O ATOM 0 H ASP A 60 2.506 -7.589 5.894 1.00 0.00 H new ATOM 0 HA ASP A 60 1.439 -9.795 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.530 -9.070 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.740 -10.656 6.387 1.00 0.00 H new ATOM 992 N GLU A 61 -1.185 -9.058 4.463 1.00 0.00 N ATOM 993 CA GLU A 61 -2.538 -8.472 4.318 1.00 0.00 C ATOM 994 C GLU A 61 -2.946 -7.611 5.524 1.00 0.00 C ATOM 995 O GLU A 61 -3.272 -6.430 5.384 1.00 0.00 O ATOM 996 CB GLU A 61 -3.630 -9.542 4.106 1.00 0.00 C ATOM 997 CG GLU A 61 -3.655 -10.200 2.722 1.00 0.00 C ATOM 998 CD GLU A 61 -2.865 -11.511 2.689 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.695 -11.474 3.133 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.430 -12.509 2.186 1.00 0.00 O ATOM 0 H GLU A 61 -1.149 -10.059 4.272 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.467 -7.843 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.500 -10.322 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.602 -9.084 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.688 -10.393 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.241 -9.510 1.986 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.923 -8.202 6.721 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.293 -7.524 7.965 1.00 0.00 C ATOM 1009 C ASN A 62 -2.370 -6.327 8.273 1.00 0.00 C ATOM 1010 O ASN A 62 -2.822 -5.256 8.668 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.270 -8.570 9.092 1.00 0.00 C ATOM 1012 CG ASN A 62 -3.603 -7.939 10.430 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -4.760 -7.755 10.768 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.602 -7.563 11.193 1.00 0.00 N ATOM 0 H ASN A 62 -2.644 -9.174 6.855 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.293 -7.100 7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.986 -9.362 8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.285 -9.035 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.785 -7.108 12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.641 -7.726 10.891 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.070 -6.523 8.087 1.00 0.00 N ATOM 1022 CA ASN A 63 0.004 -5.592 8.413 1.00 0.00 C ATOM 1023 C ASN A 63 0.017 -4.358 7.483 1.00 0.00 C ATOM 1024 O ASN A 63 0.072 -3.212 7.928 1.00 0.00 O ATOM 1025 CB ASN A 63 1.262 -6.462 8.313 1.00 0.00 C ATOM 1026 CG ASN A 63 2.474 -5.885 8.990 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.667 -4.685 9.060 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.337 -6.738 9.482 1.00 0.00 N ATOM 0 H ASN A 63 -0.716 -7.389 7.680 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.099 -5.141 9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.049 -7.438 8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.493 -6.626 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.187 -6.400 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.159 -7.740 9.414 1.00 0.00 H new ATOM 1035 N MET A 64 -0.175 -4.575 6.179 1.00 0.00 N ATOM 1036 CA MET A 64 -0.422 -3.507 5.209 1.00 0.00 C ATOM 1037 C MET A 64 -1.731 -2.759 5.514 1.00 0.00 C ATOM 1038 O MET A 64 -1.764 -1.537 5.405 1.00 0.00 O ATOM 1039 CB MET A 64 -0.418 -4.085 3.787 1.00 0.00 C ATOM 1040 CG MET A 64 -0.078 -3.023 2.739 1.00 0.00 C ATOM 1041 SD MET A 64 0.056 -3.679 1.053 1.00 0.00 S ATOM 1042 CE MET A 64 -1.686 -3.721 0.572 1.00 0.00 C ATOM 0 H MET A 64 -0.163 -5.507 5.764 1.00 0.00 H new ATOM 0 HA MET A 64 0.381 -2.774 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.306 -4.898 3.728 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.396 -4.512 3.566 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.844 -2.248 2.758 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.864 -2.546 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.780 -4.169 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.248 -4.314 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.082 -2.706 0.549 1.00 0.00 H new ATOM 1052 N SER A 65 -2.789 -3.468 5.935 1.00 0.00 N ATOM 1053 CA SER A 65 -4.046 -2.872 6.407 1.00 0.00 C ATOM 1054 C SER A 65 -3.885 -1.993 7.654 1.00 0.00 C ATOM 1055 O SER A 65 -4.638 -1.032 7.821 1.00 0.00 O ATOM 1056 CB SER A 65 -5.074 -3.964 6.698 1.00 0.00 C ATOM 1057 OG SER A 65 -6.358 -3.386 6.838 1.00 0.00 O ATOM 0 H SER A 65 -2.794 -4.488 5.957 1.00 0.00 H new ATOM 0 HA SER A 65 -4.387 -2.224 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.080 -4.696 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.804 -4.498 7.609 1.00 0.00 H new ATOM 0 HG SER A 65 -7.015 -4.089 7.023 1.00 0.00 H new ATOM 1063 N GLU A 66 -2.929 -2.294 8.533 1.00 0.00 N ATOM 1064 CA GLU A 66 -2.600 -1.479 9.710 1.00 0.00 C ATOM 1065 C GLU A 66 -1.929 -0.154 9.304 1.00 0.00 C ATOM 1066 O GLU A 66 -2.385 0.929 9.684 1.00 0.00 O ATOM 1067 CB GLU A 66 -1.713 -2.297 10.657 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.661 -1.649 12.044 1.00 0.00 C ATOM 1069 CD GLU A 66 -0.752 -2.397 13.027 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -0.006 -3.314 12.605 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -0.734 -1.968 14.201 1.00 0.00 O ATOM 0 H GLU A 66 -2.348 -3.128 8.448 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.520 -1.214 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.100 -3.313 10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.706 -2.371 10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.311 -0.622 11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.670 -1.603 12.455 1.00 0.00 H new ATOM 1078 N TYR A 67 -0.909 -0.222 8.442 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.319 0.956 7.800 1.00 0.00 C ATOM 1080 C TYR A 67 -1.366 1.800 7.056 1.00 0.00 C ATOM 1081 O TYR A 67 -1.461 3.001 7.288 1.00 0.00 O ATOM 1082 CB TYR A 67 0.810 0.514 6.864 1.00 0.00 C ATOM 1083 CG TYR A 67 1.455 1.645 6.093 1.00 0.00 C ATOM 1084 CD1 TYR A 67 2.092 2.689 6.784 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.394 1.671 4.688 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.685 3.753 6.082 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.983 2.734 3.982 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.638 3.772 4.675 1.00 0.00 C ATOM 1089 OH TYR A 67 3.180 4.818 4.001 1.00 0.00 O ATOM 0 H TYR A 67 -0.468 -1.100 8.169 1.00 0.00 H new ATOM 0 HA TYR A 67 0.092 1.599 8.578 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.576 0.006 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.415 -0.215 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.126 2.674 7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.896 0.876 4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.174 4.552 6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.933 2.756 2.903 1.00 0.00 H new ATOM 0 HH TYR A 67 2.544 5.138 3.327 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.215 1.182 6.227 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.347 1.833 5.544 1.00 0.00 C ATOM 1101 C LEU A 68 -4.422 2.413 6.489 1.00 0.00 C ATOM 1102 O LEU A 68 -5.292 3.159 6.032 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.991 0.829 4.567 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.111 0.472 3.354 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.703 -0.720 2.600 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.021 1.625 2.360 1.00 0.00 C ATOM 0 H LEU A 68 -2.135 0.190 6.005 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.933 2.692 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.230 -0.086 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.934 1.242 4.208 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.121 0.242 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.070 -0.961 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.757 -1.581 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.704 -0.469 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.392 1.333 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.019 1.872 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.588 2.496 2.852 1.00 0.00 H new ATOM 1118 N THR A 69 -4.397 2.080 7.786 1.00 0.00 N ATOM 1119 CA THR A 69 -5.278 2.646 8.820 1.00 0.00 C ATOM 1120 C THR A 69 -4.759 3.960 9.410 1.00 0.00 C ATOM 1121 O THR A 69 -5.562 4.866 9.628 1.00 0.00 O ATOM 1122 CB THR A 69 -5.576 1.620 9.915 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.278 0.545 9.340 1.00 0.00 O ATOM 1124 CG2 THR A 69 -6.427 2.143 11.073 1.00 0.00 C ATOM 0 H THR A 69 -3.745 1.389 8.157 1.00 0.00 H new ATOM 0 HA THR A 69 -6.213 2.894 8.318 1.00 0.00 H new ATOM 0 HB THR A 69 -4.607 1.340 10.328 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.670 0.021 8.777 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.585 1.345 11.798 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.914 2.975 11.555 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.390 2.483 10.692 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.456 4.085 9.696 1.00 0.00 N ATOM 1133 CA ASN A 70 -2.852 5.326 10.203 1.00 0.00 C ATOM 1134 C ASN A 70 -1.378 5.502 9.751 1.00 0.00 C ATOM 1135 O ASN A 70 -0.469 5.509 10.584 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.050 5.431 11.735 1.00 0.00 C ATOM 1137 CG ASN A 70 -2.335 4.382 12.580 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -1.379 4.667 13.283 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -2.816 3.162 12.598 1.00 0.00 N ATOM 0 H ASN A 70 -2.787 3.324 9.582 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.375 6.170 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.715 6.417 12.057 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.118 5.372 11.947 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.391 2.455 13.198 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.615 2.920 12.012 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.103 5.712 8.450 1.00 0.00 N ATOM 1147 CA PRO A 71 0.235 5.555 7.872 1.00 0.00 C ATOM 1148 C PRO A 71 1.263 6.461 8.556 1.00 0.00 C ATOM 1149 O PRO A 71 2.298 5.989 9.019 1.00 0.00 O ATOM 1150 CB PRO A 71 0.066 5.815 6.366 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.228 6.619 6.262 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.061 6.083 7.423 1.00 0.00 C ATOM 0 HA PRO A 71 0.640 4.556 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.912 6.370 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.000 4.882 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.046 7.690 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.724 6.463 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.756 6.839 7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.658 5.225 7.114 1.00 0.00 H new ATOM 1160 N LYS A 72 0.902 7.740 8.733 1.00 0.00 N ATOM 1161 CA LYS A 72 1.684 8.817 9.371 1.00 0.00 C ATOM 1162 C LYS A 72 2.035 8.597 10.844 1.00 0.00 C ATOM 1163 O LYS A 72 2.838 9.353 11.383 1.00 0.00 O ATOM 1164 CB LYS A 72 0.902 10.136 9.238 1.00 0.00 C ATOM 1165 CG LYS A 72 0.820 10.652 7.796 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.276 11.716 7.698 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.271 12.342 6.304 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.562 13.003 6.015 1.00 0.00 N ATOM 0 H LYS A 72 -0.006 8.076 8.413 1.00 0.00 H new ATOM 0 HA LYS A 72 2.639 8.836 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.108 9.992 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.375 10.895 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.779 11.073 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.605 9.829 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.249 11.268 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.116 12.486 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.538 13.069 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.077 11.573 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.510 13.478 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.320 12.291 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.765 13.706 6.754 1.00 0.00 H new ATOM 1182 N LYS A 73 1.402 7.635 11.520 1.00 0.00 N ATOM 1183 CA LYS A 73 1.632 7.313 12.937 1.00 0.00 C ATOM 1184 C LYS A 73 2.170 5.895 13.114 1.00 0.00 C ATOM 1185 O LYS A 73 3.026 5.684 13.968 1.00 0.00 O ATOM 1186 CB LYS A 73 0.346 7.599 13.728 1.00 0.00 C ATOM 1187 CG LYS A 73 0.528 7.421 15.243 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.791 7.669 15.992 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.614 7.551 17.513 1.00 0.00 C ATOM 1190 NZ LYS A 73 0.180 8.675 18.074 1.00 0.00 N ATOM 0 H LYS A 73 0.695 7.040 11.088 1.00 0.00 H new ATOM 0 HA LYS A 73 2.415 7.953 13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.018 8.618 13.523 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.444 6.934 13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.885 6.413 15.453 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.290 8.111 15.604 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.168 8.662 15.746 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.540 6.952 15.656 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.594 7.526 17.990 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.121 6.607 17.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.203 8.600 19.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.151 8.634 17.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.257 9.579 17.801 1.00 0.00 H new ATOM 1204 N TYR A 74 1.752 4.949 12.273 1.00 0.00 N ATOM 1205 CA TYR A 74 2.360 3.625 12.146 1.00 0.00 C ATOM 1206 C TYR A 74 3.816 3.684 11.665 1.00 0.00 C ATOM 1207 O TYR A 74 4.657 2.909 12.125 1.00 0.00 O ATOM 1208 CB TYR A 74 1.521 2.789 11.175 1.00 0.00 C ATOM 1209 CG TYR A 74 1.822 1.311 11.269 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.547 0.641 12.476 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.361 0.599 10.179 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.793 -0.732 12.588 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.541 -0.796 10.270 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.232 -1.466 11.472 1.00 0.00 C ATOM 1215 OH TYR A 74 2.381 -2.802 11.582 1.00 0.00 O ATOM 0 H TYR A 74 0.960 5.086 11.645 1.00 0.00 H new ATOM 0 HA TYR A 74 2.377 3.168 13.135 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.463 2.954 11.380 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.705 3.129 10.156 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.146 1.187 13.317 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.636 1.122 9.275 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.645 -1.230 13.535 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.914 -1.350 9.422 1.00 0.00 H new ATOM 0 HH TYR A 74 1.654 -3.169 12.127 1.00 0.00 H new ATOM 1225 N ILE A 75 4.098 4.621 10.760 1.00 0.00 N ATOM 1226 CA ILE A 75 5.420 5.098 10.361 1.00 0.00 C ATOM 1227 C ILE A 75 5.523 6.578 10.799 1.00 0.00 C ATOM 1228 O ILE A 75 5.076 7.471 10.073 1.00 0.00 O ATOM 1229 CB ILE A 75 5.638 4.890 8.843 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.452 3.435 8.351 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.023 5.408 8.425 1.00 0.00 C ATOM 1232 CD1 ILE A 75 6.338 2.375 9.014 1.00 0.00 C ATOM 0 H ILE A 75 3.355 5.100 10.251 1.00 0.00 H new ATOM 0 HA ILE A 75 6.216 4.532 10.845 1.00 0.00 H new ATOM 0 HB ILE A 75 4.849 5.468 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.410 3.153 8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.636 3.411 7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.161 5.255 7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.097 6.472 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.794 4.866 8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.117 1.397 8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.387 2.617 8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.142 2.356 10.086 1.00 0.00 H new ATOM 1244 N PRO A 76 6.031 6.875 12.011 1.00 0.00 N ATOM 1245 CA PRO A 76 6.093 8.243 12.532 1.00 0.00 C ATOM 1246 C PRO A 76 7.149 9.077 11.784 1.00 0.00 C ATOM 1247 O PRO A 76 8.315 9.114 12.167 1.00 0.00 O ATOM 1248 CB PRO A 76 6.366 8.090 14.033 1.00 0.00 C ATOM 1249 CG PRO A 76 7.142 6.776 14.118 1.00 0.00 C ATOM 1250 CD PRO A 76 6.518 5.930 13.008 1.00 0.00 C ATOM 0 HA PRO A 76 5.167 8.797 12.377 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.947 8.926 14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.441 8.049 14.608 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.209 6.927 13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.030 6.305 15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.252 5.250 12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.704 5.317 13.395 1.00 0.00 H new ATOM 1258 N GLY A 77 6.741 9.714 10.682 1.00 0.00 N ATOM 1259 CA GLY A 77 7.605 10.435 9.735 1.00 0.00 C ATOM 1260 C GLY A 77 7.388 10.092 8.252 1.00 0.00 C ATOM 1261 O GLY A 77 8.117 10.606 7.408 1.00 0.00 O ATOM 0 H GLY A 77 5.758 9.744 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.449 11.505 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.645 10.230 9.989 1.00 0.00 H new ATOM 1265 N THR A 78 6.411 9.236 7.925 1.00 0.00 N ATOM 1266 CA THR A 78 6.074 8.795 6.555 1.00 0.00 C ATOM 1267 C THR A 78 5.783 9.962 5.589 1.00 0.00 C ATOM 1268 O THR A 78 5.170 10.962 5.973 1.00 0.00 O ATOM 1269 CB THR A 78 4.883 7.815 6.651 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.096 6.651 5.905 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.509 8.368 6.295 1.00 0.00 C ATOM 0 H THR A 78 5.808 8.813 8.630 1.00 0.00 H new ATOM 0 HA THR A 78 6.942 8.296 6.124 1.00 0.00 H new ATOM 0 HB THR A 78 4.856 7.602 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.320 6.059 5.994 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.761 7.582 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.265 9.194 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.516 8.724 5.265 1.00 0.00 H new ATOM 1279 N LYS A 79 6.133 9.818 4.303 1.00 0.00 N ATOM 1280 CA LYS A 79 5.825 10.764 3.205 1.00 0.00 C ATOM 1281 C LYS A 79 4.422 10.583 2.586 1.00 0.00 C ATOM 1282 O LYS A 79 3.961 11.463 1.857 1.00 0.00 O ATOM 1283 CB LYS A 79 6.917 10.643 2.124 1.00 0.00 C ATOM 1284 CG LYS A 79 8.151 11.517 2.386 1.00 0.00 C ATOM 1285 CD LYS A 79 9.332 11.122 1.478 1.00 0.00 C ATOM 1286 CE LYS A 79 9.041 11.148 -0.031 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.797 12.521 -0.539 1.00 0.00 N ATOM 0 H LYS A 79 6.661 9.007 3.979 1.00 0.00 H new ATOM 0 HA LYS A 79 5.816 11.764 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.230 9.601 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.490 10.914 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.898 12.564 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.448 11.424 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.165 11.794 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.658 10.118 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.882 10.710 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.171 10.526 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.606 12.484 -1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.978 12.932 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.636 13.110 -0.365 1.00 0.00 H new ATOM 1301 N MET A 80 3.722 9.483 2.865 1.00 0.00 N ATOM 1302 CA MET A 80 2.333 9.199 2.498 1.00 0.00 C ATOM 1303 C MET A 80 1.337 10.215 3.093 1.00 0.00 C ATOM 1304 O MET A 80 0.671 9.979 4.103 1.00 0.00 O ATOM 1305 CB MET A 80 2.013 7.731 2.840 1.00 0.00 C ATOM 1306 CG MET A 80 0.591 7.334 2.448 1.00 0.00 C ATOM 1307 SD MET A 80 0.350 5.585 1.995 1.00 0.00 S ATOM 1308 CE MET A 80 -1.436 5.449 2.202 1.00 0.00 C ATOM 0 H MET A 80 4.139 8.714 3.389 1.00 0.00 H new ATOM 0 HA MET A 80 2.214 9.324 1.422 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.722 7.080 2.329 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.149 7.573 3.910 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.074 7.569 3.279 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.280 7.953 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.775 4.489 1.813 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.686 5.521 3.260 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.928 6.255 1.657 1.00 0.00 H new ATOM 1318 N ALA A 81 1.183 11.355 2.412 1.00 0.00 N ATOM 1319 CA ALA A 81 0.324 12.484 2.791 1.00 0.00 C ATOM 1320 C ALA A 81 -1.194 12.199 2.865 1.00 0.00 C ATOM 1321 O ALA A 81 -1.967 13.061 3.284 1.00 0.00 O ATOM 1322 CB ALA A 81 0.642 13.671 1.874 1.00 0.00 C ATOM 0 H ALA A 81 1.679 11.525 1.537 1.00 0.00 H new ATOM 0 HA ALA A 81 0.567 12.714 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.011 14.518 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.690 13.948 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.451 13.392 0.838 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.587 10.963 2.579 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.921 10.363 2.696 1.00 0.00 C ATOM 1330 C PHE A 82 -3.500 10.398 4.132 1.00 0.00 C ATOM 1331 O PHE A 82 -2.834 10.779 5.097 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.810 8.927 2.149 1.00 0.00 C ATOM 1333 CG PHE A 82 -4.108 8.143 2.059 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -5.077 8.480 1.097 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.353 7.080 2.949 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.286 7.762 1.035 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.553 6.353 2.877 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.526 6.701 1.927 1.00 0.00 C ATOM 0 H PHE A 82 -0.915 10.284 2.223 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.634 10.951 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.367 8.972 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.117 8.372 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.893 9.289 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.613 6.822 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.032 8.027 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.727 5.528 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.457 6.155 1.881 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.772 10.017 4.281 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.464 9.920 5.570 1.00 0.00 C ATOM 1350 C GLY A 83 -5.308 8.535 6.204 1.00 0.00 C ATOM 1351 O GLY A 83 -4.366 8.301 6.952 1.00 0.00 O ATOM 0 H GLY A 83 -5.363 9.761 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.071 10.676 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.523 10.137 5.430 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.243 7.635 5.889 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.339 6.248 6.369 1.00 0.00 C ATOM 1357 C GLY A 84 -7.734 5.656 6.106 1.00 0.00 C ATOM 1358 O GLY A 84 -8.743 6.329 6.328 1.00 0.00 O ATOM 0 H GLY A 84 -7.004 7.868 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.584 5.637 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.124 6.216 7.437 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.828 4.411 5.629 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.098 3.766 5.272 1.00 0.00 C ATOM 1364 C LEU A 85 -9.757 3.145 6.515 1.00 0.00 C ATOM 1365 O LEU A 85 -9.162 2.326 7.214 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.872 2.717 4.164 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.490 3.306 2.787 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.184 2.176 1.806 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.602 4.158 2.157 1.00 0.00 C ATOM 0 H LEU A 85 -7.015 3.814 5.478 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.781 4.521 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.084 2.035 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.780 2.125 4.052 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.624 3.942 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.915 2.598 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.354 1.580 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.064 1.543 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.266 4.539 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.493 3.546 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.837 4.994 2.816 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.987 3.584 6.816 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.736 3.241 8.042 1.00 0.00 C ATOM 1383 C LYS A 86 -12.586 1.970 7.942 1.00 0.00 C ATOM 1384 O LYS A 86 -12.526 1.142 8.846 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.604 4.433 8.483 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.750 5.590 9.025 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.631 6.707 9.603 1.00 0.00 C ATOM 1388 CE LYS A 86 -11.747 7.792 10.231 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.556 8.894 10.812 1.00 0.00 N ATOM 0 H LYS A 86 -11.507 4.206 6.197 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.979 3.022 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.197 4.783 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.305 4.108 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.077 5.218 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.127 5.991 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.250 7.139 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.308 6.298 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.125 7.349 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.074 8.195 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.923 9.608 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.131 9.333 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.181 8.514 11.551 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.414 1.846 6.898 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.393 0.757 6.763 1.00 0.00 C ATOM 1405 C LYS A 87 -13.717 -0.572 6.421 1.00 0.00 C ATOM 1406 O LYS A 87 -12.699 -0.636 5.737 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.473 1.123 5.713 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.901 1.165 6.293 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.449 -0.216 6.703 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.828 -0.159 7.373 1.00 0.00 C ATOM 1411 NZ LYS A 87 -19.898 0.257 6.434 1.00 0.00 N ATOM 0 H LYS A 87 -13.425 2.502 6.117 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.883 0.628 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.235 2.095 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.440 0.397 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.910 1.822 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.570 1.606 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.511 -0.850 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.743 -0.689 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.070 -1.139 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.793 0.537 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.809 0.280 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.684 1.204 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.952 -0.421 5.647 1.00 0.00 H new ATOM 1425 N GLU A 88 -14.367 -1.650 6.843 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.944 -3.030 6.593 1.00 0.00 C ATOM 1427 C GLU A 88 -13.834 -3.379 5.104 1.00 0.00 C ATOM 1428 O GLU A 88 -12.873 -4.009 4.709 1.00 0.00 O ATOM 1429 CB GLU A 88 -14.902 -3.973 7.332 1.00 0.00 C ATOM 1430 CG GLU A 88 -16.322 -4.047 6.744 1.00 0.00 C ATOM 1431 CD GLU A 88 -17.372 -4.166 7.849 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -17.400 -5.227 8.515 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -18.114 -3.170 8.008 1.00 0.00 O ATOM 0 H GLU A 88 -15.229 -1.590 7.385 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.931 -3.150 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.473 -4.975 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.972 -3.654 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.518 -3.157 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.397 -4.903 6.074 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.788 -2.967 4.266 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.818 -3.226 2.819 1.00 0.00 C ATOM 1442 C LYS A 89 -13.776 -2.462 2.022 1.00 0.00 C ATOM 1443 O LYS A 89 -13.047 -3.063 1.248 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.196 -2.863 2.298 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.306 -3.787 2.792 1.00 0.00 C ATOM 1446 CD LYS A 89 -17.334 -5.157 2.082 1.00 0.00 C ATOM 1447 CE LYS A 89 -16.411 -6.193 2.748 1.00 0.00 C ATOM 1448 NZ LYS A 89 -15.742 -7.068 1.757 1.00 0.00 N ATOM 0 H LYS A 89 -15.591 -2.424 4.585 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.586 -4.283 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.429 -1.840 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.179 -2.882 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.185 -3.945 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.268 -3.294 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.355 -5.537 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.036 -5.028 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.657 -5.676 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.993 -6.806 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.922 -7.530 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.411 -7.792 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.422 -6.496 0.949 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.701 -1.157 2.240 1.00 0.00 N ATOM 1463 CA ASP A 90 -12.696 -0.263 1.671 1.00 0.00 C ATOM 1464 C ASP A 90 -11.292 -0.855 1.845 1.00 0.00 C ATOM 1465 O ASP A 90 -10.551 -0.990 0.877 1.00 0.00 O ATOM 1466 CB ASP A 90 -12.821 1.102 2.354 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.870 1.995 1.687 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.056 1.803 2.047 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.486 2.853 0.851 1.00 0.00 O ATOM 0 H ASP A 90 -14.365 -0.670 2.842 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.860 -0.142 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.084 0.958 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.854 1.605 2.334 1.00 0.00 H new ATOM 1474 N ARG A 91 -10.984 -1.324 3.066 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.838 -2.200 3.359 1.00 0.00 C ATOM 1476 C ARG A 91 -9.907 -3.527 2.591 1.00 0.00 C ATOM 1477 O ARG A 91 -9.010 -3.830 1.814 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.744 -2.464 4.878 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.444 -1.214 5.718 1.00 0.00 C ATOM 1480 CD ARG A 91 -9.669 -1.510 7.210 1.00 0.00 C ATOM 1481 NE ARG A 91 -9.423 -0.308 8.015 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.626 -0.098 9.299 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.040 -1.012 10.127 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.356 1.073 9.793 1.00 0.00 N ATOM 0 H ARG A 91 -11.536 -1.100 3.894 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.940 -1.681 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.683 -2.900 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.965 -3.205 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.415 -0.895 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.086 -0.392 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.690 -1.858 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.005 -2.313 7.532 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.036 0.485 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.227 -1.957 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.177 -0.784 11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.993 1.810 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.507 1.255 10.785 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.895 -4.379 2.849 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.820 -5.804 2.495 1.00 0.00 C ATOM 1500 C ASN A 92 -10.917 -6.065 0.985 1.00 0.00 C ATOM 1501 O ASN A 92 -10.193 -6.917 0.475 1.00 0.00 O ATOM 1502 CB ASN A 92 -11.848 -6.631 3.292 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.666 -6.637 4.805 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.566 -6.947 5.566 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -10.502 -6.340 5.332 1.00 0.00 N ATOM 0 H ASN A 92 -11.766 -4.110 3.306 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.824 -6.139 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.845 -6.251 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.811 -7.661 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.377 -6.374 6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.722 -6.075 4.730 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.753 -5.333 0.252 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.819 -5.365 -1.213 1.00 0.00 C ATOM 1514 C ASP A 93 -10.560 -4.780 -1.877 1.00 0.00 C ATOM 1515 O ASP A 93 -10.062 -5.373 -2.837 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.089 -4.653 -1.709 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.330 -5.534 -1.544 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.818 -5.721 -0.403 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -14.766 -6.110 -2.564 1.00 0.00 O ATOM 0 H ASP A 93 -12.421 -4.684 0.668 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.864 -6.413 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.226 -3.724 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.970 -4.384 -2.759 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.002 -3.673 -1.366 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.733 -3.105 -1.857 1.00 0.00 C ATOM 1526 C LEU A 94 -7.537 -4.039 -1.588 1.00 0.00 C ATOM 1527 O LEU A 94 -6.696 -4.223 -2.463 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.511 -1.716 -1.243 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.429 -0.882 -1.957 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -8.039 0.005 -3.046 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.706 0.033 -0.973 1.00 0.00 C ATOM 0 H LEU A 94 -10.417 -3.144 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.805 -3.002 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.452 -1.166 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.233 -1.833 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.731 -1.593 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.250 0.580 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.540 -0.620 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.762 0.686 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.948 0.610 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.424 0.712 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.229 -0.569 -0.199 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.479 -4.687 -0.422 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.505 -5.740 -0.093 1.00 0.00 C ATOM 1545 C ILE A 95 -6.675 -6.930 -1.042 1.00 0.00 C ATOM 1546 O ILE A 95 -5.698 -7.339 -1.667 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.630 -6.159 1.388 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.166 -5.017 2.318 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.806 -7.420 1.706 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.734 -5.152 3.735 1.00 0.00 C ATOM 0 H ILE A 95 -8.125 -4.491 0.343 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.497 -5.347 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.683 -6.379 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.077 -5.010 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.473 -4.060 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.925 -7.676 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.155 -8.248 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.754 -7.230 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.378 -4.325 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.823 -5.131 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.405 -6.096 4.170 1.00 0.00 H new ATOM 1562 N THR A 96 -7.903 -7.458 -1.186 1.00 0.00 N ATOM 1563 CA THR A 96 -8.233 -8.563 -2.109 1.00 0.00 C ATOM 1564 C THR A 96 -7.647 -8.291 -3.493 1.00 0.00 C ATOM 1565 O THR A 96 -6.911 -9.112 -4.033 1.00 0.00 O ATOM 1566 CB THR A 96 -9.757 -8.807 -2.233 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.351 -9.120 -0.992 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.073 -9.997 -3.141 1.00 0.00 C ATOM 0 H THR A 96 -8.709 -7.125 -0.657 1.00 0.00 H new ATOM 0 HA THR A 96 -7.791 -9.465 -1.685 1.00 0.00 H new ATOM 0 HB THR A 96 -10.152 -7.875 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.492 -8.296 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.153 -10.133 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.676 -9.809 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.616 -10.898 -2.732 1.00 0.00 H new ATOM 1576 N TYR A 97 -7.930 -7.107 -4.035 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.396 -6.562 -5.283 1.00 0.00 C ATOM 1578 C TYR A 97 -5.866 -6.543 -5.344 1.00 0.00 C ATOM 1579 O TYR A 97 -5.286 -7.200 -6.205 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.996 -5.165 -5.446 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.255 -4.202 -6.343 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.212 -4.406 -7.733 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.624 -3.081 -5.769 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.590 -3.452 -8.558 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.995 -2.132 -6.589 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.021 -2.295 -7.988 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.527 -1.321 -8.789 1.00 0.00 O ATOM 0 H TYR A 97 -8.580 -6.462 -3.586 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.679 -7.211 -6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.010 -5.274 -5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.077 -4.713 -4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.655 -5.291 -8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.624 -2.952 -4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.548 -3.605 -9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.494 -1.282 -6.150 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.603 -0.455 -8.336 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.202 -5.832 -4.432 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.761 -5.610 -4.464 1.00 0.00 C ATOM 1599 C LEU A 98 -2.951 -6.897 -4.296 1.00 0.00 C ATOM 1600 O LEU A 98 -1.877 -7.030 -4.889 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.437 -4.570 -3.378 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.197 -3.155 -3.934 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.522 -2.101 -2.877 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.744 -2.953 -4.353 1.00 0.00 C ATOM 0 H LEU A 98 -5.661 -5.387 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.470 -5.238 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.258 -4.536 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.551 -4.892 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.848 -3.047 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.346 -1.107 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.567 -2.192 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.885 -2.251 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.614 -1.942 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.093 -3.098 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.485 -3.674 -5.128 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.487 -7.876 -3.561 1.00 0.00 N ATOM 1617 CA LYS A 99 -2.914 -9.223 -3.528 1.00 0.00 C ATOM 1618 C LYS A 99 -2.985 -9.881 -4.913 1.00 0.00 C ATOM 1619 O LYS A 99 -1.956 -10.266 -5.456 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.582 -10.052 -2.422 1.00 0.00 C ATOM 1621 CG LYS A 99 -2.615 -11.153 -1.952 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.231 -12.029 -0.855 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.082 -13.174 -1.414 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.242 -14.318 -1.830 1.00 0.00 N ATOM 0 H LYS A 99 -4.318 -7.760 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.854 -9.164 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.853 -9.409 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.505 -10.498 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.337 -11.777 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -1.699 -10.696 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.434 -12.443 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.848 -11.408 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.796 -13.501 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.661 -12.817 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.748 -14.878 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.350 -13.966 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.036 -14.916 -1.004 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.180 -9.898 -5.527 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.504 -10.491 -6.855 1.00 0.00 C ATOM 1640 C LYS A 100 -3.954 -9.712 -8.063 1.00 0.00 C ATOM 1641 O LYS A 100 -4.222 -10.075 -9.210 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.033 -10.659 -6.977 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.533 -12.060 -7.379 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.277 -12.475 -8.838 1.00 0.00 C ATOM 1645 CE LYS A 100 -4.997 -13.307 -9.008 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.087 -12.745 -10.025 1.00 0.00 N ATOM 0 H LYS A 100 -5.000 -9.476 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.999 -11.456 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.484 -10.396 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.399 -9.941 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.061 -12.794 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.606 -12.109 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.129 -13.050 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.208 -11.581 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.476 -13.366 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.265 -14.326 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.375 -13.457 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.633 -12.476 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.611 -11.905 -9.639 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.250 -8.616 -7.805 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.366 -7.955 -8.757 1.00 0.00 C ATOM 1662 C ALA A 101 -0.928 -8.504 -8.722 1.00 0.00 C ATOM 1663 O ALA A 101 -0.259 -8.500 -9.753 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.351 -6.460 -8.436 1.00 0.00 C ATOM 0 H ALA A 101 -3.280 -8.148 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.748 -8.145 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.695 -5.944 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.361 -6.059 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.986 -6.310 -7.420 1.00 0.00 H new ATOM 1670 N THR A 102 -0.441 -8.900 -7.540 1.00 0.00 N ATOM 1671 CA THR A 102 0.923 -9.393 -7.282 1.00 0.00 C ATOM 1672 C THR A 102 1.058 -10.883 -7.623 1.00 0.00 C ATOM 1673 O THR A 102 2.009 -11.259 -8.315 1.00 0.00 O ATOM 1674 CB THR A 102 1.299 -9.141 -5.810 1.00 0.00 C ATOM 1675 OG1 THR A 102 1.433 -7.749 -5.573 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.627 -9.780 -5.412 1.00 0.00 C ATOM 0 H THR A 102 -1.012 -8.886 -6.695 1.00 0.00 H new ATOM 0 HA THR A 102 1.610 -8.846 -7.928 1.00 0.00 H new ATOM 0 HB THR A 102 0.496 -9.586 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.670 -7.598 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.834 -9.566 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.570 -10.859 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.427 -9.373 -6.031 1.00 0.00 H new ATOM 1684 N GLU A 103 0.104 -11.702 -7.162 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.247 -13.021 -7.731 1.00 0.00 C ATOM 1686 C GLU A 103 -1.354 -12.874 -8.778 1.00 0.00 C ATOM 1687 O GLU A 103 -1.646 -13.833 -9.524 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.667 -13.995 -6.605 1.00 0.00 C ATOM 1689 CG GLU A 103 -2.094 -13.766 -6.059 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.388 -14.479 -4.727 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.514 -14.514 -3.828 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -3.558 -14.865 -4.473 1.00 0.00 O ATOM 1693 OXT GLU A 103 -1.991 -11.797 -8.802 1.00 0.00 O ATOM 0 H GLU A 103 -0.469 -11.461 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 103 0.630 -13.436 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.594 -15.016 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.042 -13.906 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.252 -12.696 -5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.814 -14.104 -6.805 1.00 0.00 H new