USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 777 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 50 LYS NZ :NH3+ 165:sc= 0.532 (180deg=-0.292) USER MOD Set 1.2: A 112 SER OG : rot 180:sc= 0.983 USER MOD Set 2.1: A 46 ASN : amide:sc= 0.59 K(o=1.3,f=-3.1) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -166:sc= 0.66 (180deg=-0.16) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -173:sc= 1.09 (180deg=0.00804) USER MOD Set 3.2: A 44 THR OG1 : rot 136:sc= 1.38 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 22 GLN : amide:sc=-0.00334 K(o=-0.0033,f=-0.84) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.368 K(o=-0.37,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 73:sc= 0.779 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 67:sc= 0.797 USER MOD Single : A 60 SER OG : rot -162:sc= 1.07 USER MOD Single : A 67 SER OG : rot 61:sc= 1.26 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 76 LYS NZ :NH3+ 135:sc= 0.172 (180deg=-0.25) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -0.205 (180deg=-2.21!) USER MOD Single : A 87 ASN : amide:sc= 0.564 K(o=0.56,f=-1) USER MOD Single : A 94 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 100 LYS NZ :NH3+ 137:sc= 0.995 (180deg=0.0235) USER MOD Single : A 103 LYS NZ :NH3+ 167:sc= -0.0417 (180deg=-0.252) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 107 LYS NZ :NH3+ 160:sc= -0.141 (180deg=-0.521) USER MOD Single : A 110 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 20 11.894 7.236 -1.513 1.00 0.00 N ATOM 32 CA ALA A 20 11.119 6.126 -0.951 1.00 0.00 C ATOM 33 C ALA A 20 9.781 6.556 -0.335 1.00 0.00 C ATOM 34 O ALA A 20 8.730 5.995 -0.655 1.00 0.00 O ATOM 35 CB ALA A 20 11.945 5.407 0.084 1.00 0.00 C ATOM 0 HA ALA A 20 10.877 5.465 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.368 4.582 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.851 5.018 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.214 6.101 0.881 1.00 0.00 H new ATOM 41 N THR A 21 9.809 7.580 0.477 1.00 0.00 N ATOM 42 CA THR A 21 8.634 7.993 1.192 1.00 0.00 C ATOM 43 C THR A 21 7.628 8.698 0.295 1.00 0.00 C ATOM 44 O THR A 21 6.419 8.468 0.398 1.00 0.00 O ATOM 45 CB THR A 21 9.022 8.869 2.371 1.00 0.00 C ATOM 46 OG1 THR A 21 10.040 9.798 1.945 1.00 0.00 O ATOM 47 CG2 THR A 21 9.546 8.026 3.526 1.00 0.00 C ATOM 0 H THR A 21 10.638 8.145 0.659 1.00 0.00 H new ATOM 0 HA THR A 21 8.142 7.094 1.564 1.00 0.00 H new ATOM 0 HB THR A 21 8.141 9.408 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.297 10.370 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.817 8.676 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.772 7.329 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.424 7.469 3.200 1.00 0.00 H new ATOM 55 N GLN A 22 8.129 9.514 -0.615 1.00 0.00 N ATOM 56 CA GLN A 22 7.276 10.246 -1.536 1.00 0.00 C ATOM 57 C GLN A 22 6.567 9.278 -2.491 1.00 0.00 C ATOM 58 O GLN A 22 5.400 9.476 -2.846 1.00 0.00 O ATOM 59 CB GLN A 22 8.070 11.323 -2.294 1.00 0.00 C ATOM 60 CG GLN A 22 9.143 10.781 -3.212 1.00 0.00 C ATOM 61 CD GLN A 22 10.041 11.842 -3.788 1.00 0.00 C ATOM 62 OE1 GLN A 22 10.296 12.874 -3.158 1.00 0.00 O ATOM 63 NE2 GLN A 22 10.530 11.605 -4.975 1.00 0.00 N ATOM 0 H GLN A 22 9.127 9.687 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 22 6.510 10.765 -0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.375 11.922 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.534 11.992 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.751 10.063 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.669 10.237 -4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.294 10.740 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.148 12.285 -5.417 1.00 0.00 H new ATOM 72 N ARG A 23 7.268 8.212 -2.873 1.00 0.00 N ATOM 73 CA ARG A 23 6.721 7.223 -3.779 1.00 0.00 C ATOM 74 C ARG A 23 5.735 6.303 -3.042 1.00 0.00 C ATOM 75 O ARG A 23 4.803 5.780 -3.634 1.00 0.00 O ATOM 76 CB ARG A 23 7.853 6.432 -4.467 1.00 0.00 C ATOM 77 CG ARG A 23 7.394 5.536 -5.612 1.00 0.00 C ATOM 78 CD ARG A 23 8.574 5.018 -6.439 1.00 0.00 C ATOM 79 NE ARG A 23 9.438 4.057 -5.725 1.00 0.00 N ATOM 80 CZ ARG A 23 10.777 4.190 -5.573 1.00 0.00 C ATOM 81 NH1 ARG A 23 11.367 5.361 -5.769 1.00 0.00 N ATOM 82 NH2 ARG A 23 11.507 3.162 -5.173 1.00 0.00 N ATOM 0 H ARG A 23 8.220 8.017 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 23 6.162 7.733 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.592 7.137 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.355 5.817 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.834 4.692 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.714 6.092 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.190 4.543 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.180 5.866 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 23 8.995 3.234 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.812 6.173 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.376 5.450 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.062 2.265 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.515 3.266 -5.060 1.00 0.00 H new ATOM 96 N PHE A 24 5.906 6.156 -1.731 1.00 0.00 N ATOM 97 CA PHE A 24 4.978 5.344 -0.945 1.00 0.00 C ATOM 98 C PHE A 24 3.772 6.153 -0.522 1.00 0.00 C ATOM 99 O PHE A 24 2.750 5.612 -0.083 1.00 0.00 O ATOM 100 CB PHE A 24 5.671 4.647 0.242 1.00 0.00 C ATOM 101 CG PHE A 24 6.339 3.341 -0.138 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.855 3.148 -1.416 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.404 2.286 0.765 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.424 1.951 -1.780 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.969 1.084 0.391 1.00 0.00 C ATOM 106 CZ PHE A 24 7.478 0.916 -0.875 1.00 0.00 C ATOM 0 H PHE A 24 6.664 6.580 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 24 4.617 4.542 -1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.418 5.320 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.935 4.457 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.807 3.953 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.011 2.408 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.828 1.823 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.012 0.269 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.920 -0.028 -1.159 1.00 0.00 H new ATOM 116 N HIS A 25 3.863 7.454 -0.730 1.00 0.00 N ATOM 117 CA HIS A 25 2.769 8.360 -0.436 1.00 0.00 C ATOM 118 C HIS A 25 1.678 8.168 -1.507 1.00 0.00 C ATOM 119 O HIS A 25 0.526 8.533 -1.310 1.00 0.00 O ATOM 120 CB HIS A 25 3.279 9.817 -0.396 1.00 0.00 C ATOM 121 CG HIS A 25 2.320 10.819 0.199 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.453 11.315 1.474 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.239 11.440 -0.322 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.501 12.186 1.706 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.757 12.283 0.637 1.00 0.00 N ATOM 0 H HIS A 25 4.694 7.910 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 25 2.346 8.141 0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.207 9.844 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.520 10.128 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.832 11.296 -1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.356 12.732 2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.055 12.892 0.535 1.00 0.00 H new ATOM 134 N GLU A 26 2.072 7.554 -2.623 1.00 0.00 N ATOM 135 CA GLU A 26 1.168 7.208 -3.718 1.00 0.00 C ATOM 136 C GLU A 26 0.116 6.196 -3.224 1.00 0.00 C ATOM 137 O GLU A 26 -1.088 6.294 -3.521 1.00 0.00 O ATOM 138 CB GLU A 26 1.991 6.588 -4.855 1.00 0.00 C ATOM 139 CG GLU A 26 1.188 6.122 -6.053 1.00 0.00 C ATOM 140 CD GLU A 26 0.555 7.250 -6.816 1.00 0.00 C ATOM 141 OE1 GLU A 26 -0.478 7.768 -6.391 1.00 0.00 O ATOM 142 OE2 GLU A 26 1.057 7.600 -7.890 1.00 0.00 O ATOM 0 H GLU A 26 3.040 7.280 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 26 0.656 8.102 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.725 7.320 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.547 5.739 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.839 5.560 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.409 5.438 -5.716 1.00 0.00 H new ATOM 149 N ILE A 27 0.569 5.244 -2.447 1.00 0.00 N ATOM 150 CA ILE A 27 -0.316 4.237 -1.916 1.00 0.00 C ATOM 151 C ILE A 27 -1.141 4.856 -0.788 1.00 0.00 C ATOM 152 O ILE A 27 -2.315 4.555 -0.625 1.00 0.00 O ATOM 153 CB ILE A 27 0.423 2.931 -1.420 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.259 2.259 -2.544 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.587 1.919 -0.889 1.00 0.00 C ATOM 156 CD1 ILE A 27 2.562 2.952 -2.906 1.00 0.00 C ATOM 0 H ILE A 27 1.545 5.145 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.961 3.907 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 27 1.104 3.241 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.486 1.237 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.642 2.196 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.063 1.025 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.135 2.356 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.286 1.652 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.061 2.397 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.352 3.965 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.209 2.992 -2.029 1.00 0.00 H new ATOM 168 N GLU A 28 -0.513 5.766 -0.056 1.00 0.00 N ATOM 169 CA GLU A 28 -1.143 6.478 1.060 1.00 0.00 C ATOM 170 C GLU A 28 -2.370 7.265 0.547 1.00 0.00 C ATOM 171 O GLU A 28 -3.476 7.143 1.098 1.00 0.00 O ATOM 172 CB GLU A 28 -0.072 7.405 1.708 1.00 0.00 C ATOM 173 CG GLU A 28 -0.398 8.036 3.077 1.00 0.00 C ATOM 174 CD GLU A 28 -1.533 9.040 3.075 1.00 0.00 C ATOM 175 OE1 GLU A 28 -1.402 10.106 2.435 1.00 0.00 O ATOM 176 OE2 GLU A 28 -2.545 8.798 3.764 1.00 0.00 O ATOM 0 H GLU A 28 0.457 6.037 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.505 5.785 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.848 6.830 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.138 8.214 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.643 7.237 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.499 8.527 3.455 1.00 0.00 H new ATOM 183 N LYS A 29 -2.182 8.003 -0.542 1.00 0.00 N ATOM 184 CA LYS A 29 -3.274 8.757 -1.147 1.00 0.00 C ATOM 185 C LYS A 29 -4.344 7.827 -1.718 1.00 0.00 C ATOM 186 O LYS A 29 -5.534 8.126 -1.664 1.00 0.00 O ATOM 187 CB LYS A 29 -2.803 9.773 -2.208 1.00 0.00 C ATOM 188 CG LYS A 29 -2.035 9.177 -3.369 1.00 0.00 C ATOM 189 CD LYS A 29 -1.777 10.181 -4.484 1.00 0.00 C ATOM 190 CE LYS A 29 -3.075 10.627 -5.143 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.838 11.493 -6.313 1.00 0.00 N ATOM 0 H LYS A 29 -1.287 8.095 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.716 9.340 -0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.675 10.297 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.175 10.519 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.082 8.790 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.592 8.330 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.255 11.049 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.122 9.735 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.644 9.750 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.685 11.162 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.750 11.772 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.318 12.344 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.279 10.975 -7.021 1.00 0.00 H new ATOM 205 N PHE A 30 -3.927 6.695 -2.262 1.00 0.00 N ATOM 206 CA PHE A 30 -4.882 5.737 -2.797 1.00 0.00 C ATOM 207 C PHE A 30 -5.726 5.176 -1.666 1.00 0.00 C ATOM 208 O PHE A 30 -6.930 5.035 -1.797 1.00 0.00 O ATOM 209 CB PHE A 30 -4.171 4.587 -3.488 1.00 0.00 C ATOM 210 CG PHE A 30 -5.103 3.673 -4.250 1.00 0.00 C ATOM 211 CD1 PHE A 30 -5.511 3.994 -5.535 1.00 0.00 C ATOM 212 CD2 PHE A 30 -5.579 2.503 -3.677 1.00 0.00 C ATOM 213 CE1 PHE A 30 -6.372 3.166 -6.231 1.00 0.00 C ATOM 214 CE2 PHE A 30 -6.437 1.675 -4.372 1.00 0.00 C ATOM 215 CZ PHE A 30 -6.834 2.007 -5.648 1.00 0.00 C ATOM 0 H PHE A 30 -2.949 6.419 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.510 6.254 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.428 4.990 -4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.632 4.003 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.152 4.901 -5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.275 2.237 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.682 3.428 -7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.797 0.766 -3.914 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.507 1.359 -6.191 1.00 0.00 H new ATOM 225 N LEU A 31 -5.070 4.888 -0.557 1.00 0.00 N ATOM 226 CA LEU A 31 -5.688 4.299 0.614 1.00 0.00 C ATOM 227 C LEU A 31 -6.783 5.238 1.152 1.00 0.00 C ATOM 228 O LEU A 31 -7.902 4.802 1.494 1.00 0.00 O ATOM 229 CB LEU A 31 -4.569 4.032 1.650 1.00 0.00 C ATOM 230 CG LEU A 31 -4.848 3.085 2.829 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.532 2.738 3.496 1.00 0.00 C ATOM 232 CD2 LEU A 31 -5.780 3.711 3.857 1.00 0.00 C ATOM 0 H LEU A 31 -4.071 5.061 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.178 3.354 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.709 3.638 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.271 4.994 2.066 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.337 2.192 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.715 2.066 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.877 2.248 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.056 3.649 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.949 3.007 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.328 4.621 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.732 3.955 3.385 1.00 0.00 H new ATOM 244 N LEU A 32 -6.489 6.520 1.192 1.00 0.00 N ATOM 245 CA LEU A 32 -7.478 7.461 1.654 1.00 0.00 C ATOM 246 C LEU A 32 -8.630 7.612 0.655 1.00 0.00 C ATOM 247 O LEU A 32 -9.815 7.709 1.033 1.00 0.00 O ATOM 248 CB LEU A 32 -6.860 8.802 2.149 1.00 0.00 C ATOM 249 CG LEU A 32 -5.956 9.594 1.191 1.00 0.00 C ATOM 250 CD1 LEU A 32 -6.741 10.348 0.129 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.056 10.537 1.962 1.00 0.00 C ATOM 0 H LEU A 32 -5.594 6.925 0.917 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.932 7.041 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.681 9.455 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.282 8.588 3.048 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.339 8.865 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.051 10.889 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.319 9.641 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.417 11.055 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.424 11.088 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.666 11.238 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.429 9.964 2.645 1.00 0.00 H new ATOM 263 N HIS A 33 -8.297 7.539 -0.620 1.00 0.00 N ATOM 264 CA HIS A 33 -9.285 7.691 -1.645 1.00 0.00 C ATOM 265 C HIS A 33 -10.179 6.466 -1.691 1.00 0.00 C ATOM 266 O HIS A 33 -11.379 6.594 -1.888 1.00 0.00 O ATOM 267 CB HIS A 33 -8.654 7.978 -3.033 1.00 0.00 C ATOM 268 CG HIS A 33 -9.679 8.236 -4.116 1.00 0.00 C ATOM 269 ND1 HIS A 33 -10.112 9.489 -4.465 1.00 0.00 N ATOM 270 CD2 HIS A 33 -10.395 7.382 -4.869 1.00 0.00 C ATOM 271 CE1 HIS A 33 -11.056 9.388 -5.377 1.00 0.00 C ATOM 272 NE2 HIS A 33 -11.250 8.113 -5.638 1.00 0.00 N ATOM 0 H HIS A 33 -7.349 7.375 -0.960 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.891 8.562 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.995 8.843 -2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.034 7.130 -3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.308 6.306 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.583 10.213 -5.834 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.925 7.736 -6.303 1.00 0.00 H new ATOM 281 N ILE A 34 -9.605 5.287 -1.473 1.00 0.00 N ATOM 282 CA ILE A 34 -10.348 4.080 -1.539 1.00 0.00 C ATOM 283 C ILE A 34 -11.331 4.008 -0.362 1.00 0.00 C ATOM 284 O ILE A 34 -12.419 3.487 -0.500 1.00 0.00 O ATOM 285 CB ILE A 34 -9.424 2.821 -1.648 1.00 0.00 C ATOM 286 CG1 ILE A 34 -10.221 1.664 -2.203 1.00 0.00 C ATOM 287 CG2 ILE A 34 -8.807 2.438 -0.303 1.00 0.00 C ATOM 288 CD1 ILE A 34 -9.412 0.405 -2.427 1.00 0.00 C ATOM 0 H ILE A 34 -8.617 5.165 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.934 4.081 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.601 3.066 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.039 1.440 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.670 1.967 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.175 1.559 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.206 3.267 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.600 2.214 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.058 -0.377 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.609 0.609 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.985 0.074 -1.481 1.00 0.00 H new ATOM 300 N THR A 35 -10.959 4.609 0.767 1.00 0.00 N ATOM 301 CA THR A 35 -11.862 4.717 1.898 1.00 0.00 C ATOM 302 C THR A 35 -13.068 5.617 1.514 1.00 0.00 C ATOM 303 O THR A 35 -14.226 5.344 1.894 1.00 0.00 O ATOM 304 CB THR A 35 -11.133 5.274 3.132 1.00 0.00 C ATOM 305 OG1 THR A 35 -10.005 4.423 3.441 1.00 0.00 O ATOM 306 CG2 THR A 35 -12.059 5.332 4.343 1.00 0.00 C ATOM 0 H THR A 35 -10.040 5.026 0.917 1.00 0.00 H new ATOM 0 HA THR A 35 -12.228 3.723 2.155 1.00 0.00 H new ATOM 0 HB THR A 35 -10.799 6.286 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.300 4.559 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.514 5.730 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.908 5.978 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.417 4.329 4.575 1.00 0.00 H new ATOM 314 N HIS A 36 -12.802 6.667 0.734 1.00 0.00 N ATOM 315 CA HIS A 36 -13.885 7.514 0.217 1.00 0.00 C ATOM 316 C HIS A 36 -14.785 6.705 -0.735 1.00 0.00 C ATOM 317 O HIS A 36 -15.992 6.907 -0.762 1.00 0.00 O ATOM 318 CB HIS A 36 -13.345 8.777 -0.490 1.00 0.00 C ATOM 319 CG HIS A 36 -14.426 9.693 -1.037 1.00 0.00 C ATOM 320 ND1 HIS A 36 -15.002 10.710 -0.308 1.00 0.00 N ATOM 321 CD2 HIS A 36 -15.028 9.728 -2.253 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.907 11.322 -1.047 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.942 10.746 -2.228 1.00 0.00 N ATOM 0 H HIS A 36 -11.864 6.950 0.449 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.476 7.849 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.730 9.339 0.213 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.694 8.471 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.823 9.073 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.517 12.157 -0.734 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.552 11.014 -3.001 1.00 0.00 H new ATOM 332 N GLU A 37 -14.184 5.803 -1.503 1.00 0.00 N ATOM 333 CA GLU A 37 -14.928 4.923 -2.408 1.00 0.00 C ATOM 334 C GLU A 37 -15.876 4.050 -1.589 1.00 0.00 C ATOM 335 O GLU A 37 -16.997 3.811 -1.988 1.00 0.00 O ATOM 336 CB GLU A 37 -13.979 4.010 -3.196 1.00 0.00 C ATOM 337 CG GLU A 37 -12.868 4.721 -3.955 1.00 0.00 C ATOM 338 CD GLU A 37 -13.337 5.593 -5.083 1.00 0.00 C ATOM 339 OE1 GLU A 37 -13.563 6.799 -4.874 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.404 5.101 -6.224 1.00 0.00 O ATOM 0 H GLU A 37 -13.174 5.659 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.483 5.544 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.526 3.301 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.567 3.430 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.301 5.332 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.182 3.973 -4.353 1.00 0.00 H new ATOM 347 N VAL A 38 -15.422 3.648 -0.399 1.00 0.00 N ATOM 348 CA VAL A 38 -16.186 2.791 0.494 1.00 0.00 C ATOM 349 C VAL A 38 -17.435 3.523 0.923 1.00 0.00 C ATOM 350 O VAL A 38 -18.547 2.972 0.911 1.00 0.00 O ATOM 351 CB VAL A 38 -15.366 2.422 1.762 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.155 1.500 2.658 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.059 1.771 1.392 1.00 0.00 C ATOM 0 H VAL A 38 -14.508 3.913 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.434 1.873 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.156 3.347 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.563 1.254 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.077 1.993 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.396 0.585 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.506 1.524 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.254 0.860 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.470 2.457 0.784 1.00 0.00 H new ATOM 363 N ASP A 39 -17.235 4.779 1.259 1.00 0.00 N ATOM 364 CA ASP A 39 -18.309 5.658 1.679 1.00 0.00 C ATOM 365 C ASP A 39 -19.291 5.859 0.548 1.00 0.00 C ATOM 366 O ASP A 39 -20.543 5.845 0.732 1.00 0.00 O ATOM 367 CB ASP A 39 -17.754 7.012 2.117 1.00 0.00 C ATOM 368 CG ASP A 39 -18.838 7.995 2.501 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.287 7.971 3.672 1.00 0.00 O ATOM 370 OD2 ASP A 39 -19.244 8.829 1.657 1.00 0.00 O ATOM 0 H ASP A 39 -16.317 5.224 1.249 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.819 5.194 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.084 6.868 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.158 7.434 1.308 1.00 0.00 H new ATOM 375 N ASP A 40 -18.732 5.991 -0.634 1.00 0.00 N ATOM 376 CA ASP A 40 -19.493 6.222 -1.796 1.00 0.00 C ATOM 377 C ASP A 40 -20.410 5.059 -2.023 1.00 0.00 C ATOM 378 O ASP A 40 -21.573 5.242 -2.186 1.00 0.00 O ATOM 379 CB ASP A 40 -18.614 6.460 -3.022 1.00 0.00 C ATOM 380 CG ASP A 40 -19.423 6.969 -4.200 1.00 0.00 C ATOM 381 OD1 ASP A 40 -20.118 6.181 -4.861 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.388 8.194 -4.468 1.00 0.00 O ATOM 0 H ASP A 40 -17.726 5.937 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 40 -20.077 7.130 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.834 7.181 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -18.114 5.531 -3.298 1.00 0.00 H new ATOM 387 N LEU A 41 -19.888 3.853 -1.891 1.00 0.00 N ATOM 388 CA LEU A 41 -20.668 2.636 -2.121 1.00 0.00 C ATOM 389 C LEU A 41 -21.739 2.538 -1.102 1.00 0.00 C ATOM 390 O LEU A 41 -22.838 2.093 -1.382 1.00 0.00 O ATOM 391 CB LEU A 41 -19.831 1.417 -1.943 1.00 0.00 C ATOM 392 CG LEU A 41 -18.516 1.400 -2.616 1.00 0.00 C ATOM 393 CD1 LEU A 41 -17.824 0.129 -2.266 1.00 0.00 C ATOM 394 CD2 LEU A 41 -18.636 1.578 -4.127 1.00 0.00 C ATOM 0 H LEU A 41 -18.919 3.683 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.060 2.692 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.667 1.272 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.403 0.559 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.927 2.248 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.850 0.099 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -17.690 0.073 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.425 -0.717 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.643 1.558 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.238 0.769 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.113 2.534 -4.344 1.00 0.00 H new ATOM 406 N GLU A 42 -21.403 2.972 0.078 1.00 0.00 N ATOM 407 CA GLU A 42 -22.310 2.944 1.190 1.00 0.00 C ATOM 408 C GLU A 42 -23.577 3.771 0.886 1.00 0.00 C ATOM 409 O GLU A 42 -24.669 3.451 1.371 1.00 0.00 O ATOM 410 CB GLU A 42 -21.613 3.412 2.473 1.00 0.00 C ATOM 411 CG GLU A 42 -22.479 3.308 3.702 1.00 0.00 C ATOM 412 CD GLU A 42 -21.779 3.726 4.965 1.00 0.00 C ATOM 413 OE1 GLU A 42 -21.795 4.932 5.301 1.00 0.00 O ATOM 414 OE2 GLU A 42 -21.220 2.856 5.661 1.00 0.00 O ATOM 0 H GLU A 42 -20.485 3.358 0.298 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.628 1.914 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.711 2.819 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.297 4.448 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -23.366 3.927 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -22.822 2.279 3.809 1.00 0.00 H new ATOM 421 N LYS A 43 -23.449 4.804 0.056 1.00 0.00 N ATOM 422 CA LYS A 43 -24.626 5.567 -0.333 1.00 0.00 C ATOM 423 C LYS A 43 -25.051 5.266 -1.786 1.00 0.00 C ATOM 424 O LYS A 43 -26.144 5.644 -2.231 1.00 0.00 O ATOM 425 CB LYS A 43 -24.475 7.092 -0.020 1.00 0.00 C ATOM 426 CG LYS A 43 -23.274 7.825 -0.646 1.00 0.00 C ATOM 427 CD LYS A 43 -23.433 8.053 -2.138 1.00 0.00 C ATOM 428 CE LYS A 43 -22.211 8.723 -2.733 1.00 0.00 C ATOM 429 NZ LYS A 43 -22.310 8.841 -4.197 1.00 0.00 N ATOM 0 H LYS A 43 -22.569 5.123 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.454 5.231 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.385 7.595 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.416 7.210 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.142 8.786 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.368 7.246 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.604 7.099 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.312 8.670 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.091 9.714 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.320 8.150 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.409 9.194 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.518 7.908 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.073 9.504 -4.441 1.00 0.00 H new ATOM 443 N THR A 44 -24.178 4.598 -2.500 1.00 0.00 N ATOM 444 CA THR A 44 -24.345 4.299 -3.902 1.00 0.00 C ATOM 445 C THR A 44 -24.637 2.794 -4.173 1.00 0.00 C ATOM 446 O THR A 44 -25.784 2.395 -4.350 1.00 0.00 O ATOM 447 CB THR A 44 -23.063 4.692 -4.658 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.745 6.080 -4.495 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.149 4.402 -6.096 1.00 0.00 C ATOM 0 H THR A 44 -23.307 4.237 -2.111 1.00 0.00 H new ATOM 0 HA THR A 44 -25.206 4.870 -4.249 1.00 0.00 H new ATOM 0 HB THR A 44 -22.273 4.084 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.785 6.178 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.220 4.698 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.312 3.334 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.979 4.959 -6.530 1.00 0.00 H new ATOM 457 N GLY A 45 -23.588 1.994 -4.184 1.00 0.00 N ATOM 458 CA GLY A 45 -23.683 0.613 -4.542 1.00 0.00 C ATOM 459 C GLY A 45 -22.649 -0.194 -3.826 1.00 0.00 C ATOM 460 O GLY A 45 -21.521 -0.318 -4.274 1.00 0.00 O ATOM 0 H GLY A 45 -22.645 2.297 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -24.677 0.237 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.556 0.502 -5.619 1.00 0.00 H new ATOM 464 N ASN A 46 -23.014 -0.691 -2.700 1.00 0.00 N ATOM 465 CA ASN A 46 -22.110 -1.477 -1.862 1.00 0.00 C ATOM 466 C ASN A 46 -22.237 -2.967 -2.120 1.00 0.00 C ATOM 467 O ASN A 46 -21.394 -3.725 -1.699 1.00 0.00 O ATOM 468 CB ASN A 46 -22.383 -1.205 -0.366 1.00 0.00 C ATOM 469 CG ASN A 46 -23.685 -1.838 0.139 1.00 0.00 C ATOM 470 OD1 ASN A 46 -24.762 -1.263 0.009 1.00 0.00 O ATOM 471 ND2 ASN A 46 -23.589 -2.977 0.766 1.00 0.00 N ATOM 0 H ASN A 46 -23.949 -0.577 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.097 -1.168 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.549 -1.587 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.423 -0.128 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.422 -3.412 1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.681 -3.433 0.859 1.00 0.00 H new ATOM 478 N LYS A 47 -23.251 -3.361 -2.853 1.00 0.00 N ATOM 479 CA LYS A 47 -23.606 -4.781 -2.997 1.00 0.00 C ATOM 480 C LYS A 47 -22.489 -5.677 -3.556 1.00 0.00 C ATOM 481 O LYS A 47 -22.233 -6.745 -3.019 1.00 0.00 O ATOM 482 CB LYS A 47 -24.914 -4.946 -3.768 1.00 0.00 C ATOM 483 CG LYS A 47 -26.096 -4.235 -3.105 1.00 0.00 C ATOM 484 CD LYS A 47 -26.315 -4.720 -1.673 1.00 0.00 C ATOM 485 CE LYS A 47 -27.466 -3.997 -0.997 1.00 0.00 C ATOM 486 NZ LYS A 47 -27.244 -2.536 -0.890 1.00 0.00 N ATOM 0 H LYS A 47 -23.858 -2.724 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 47 -23.753 -5.143 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -24.785 -4.558 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -25.142 -6.008 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -25.919 -3.160 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -26.999 -4.408 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.514 -5.792 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -25.403 -4.569 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -28.383 -4.180 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -27.613 -4.411 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.930 -2.128 -0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -26.279 -2.356 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -27.367 -2.097 -1.825 1.00 0.00 H new ATOM 500 N ASP A 48 -21.828 -5.247 -4.591 1.00 0.00 N ATOM 501 CA ASP A 48 -20.742 -6.055 -5.171 1.00 0.00 C ATOM 502 C ASP A 48 -19.446 -5.262 -5.239 1.00 0.00 C ATOM 503 O ASP A 48 -18.339 -5.793 -5.105 1.00 0.00 O ATOM 504 CB ASP A 48 -21.132 -6.585 -6.550 1.00 0.00 C ATOM 505 CG ASP A 48 -20.025 -7.382 -7.199 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.723 -8.490 -6.748 1.00 0.00 O ATOM 507 OD2 ASP A 48 -19.436 -6.904 -8.174 1.00 0.00 O ATOM 0 H ASP A 48 -22.002 -4.358 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.576 -6.911 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.019 -7.211 -6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.399 -5.748 -7.195 1.00 0.00 H new ATOM 512 N GLU A 49 -19.609 -3.982 -5.374 1.00 0.00 N ATOM 513 CA GLU A 49 -18.536 -3.015 -5.461 1.00 0.00 C ATOM 514 C GLU A 49 -17.684 -2.995 -4.223 1.00 0.00 C ATOM 515 O GLU A 49 -16.512 -2.680 -4.294 1.00 0.00 O ATOM 516 CB GLU A 49 -19.079 -1.665 -5.873 1.00 0.00 C ATOM 517 CG GLU A 49 -19.698 -1.732 -7.260 1.00 0.00 C ATOM 518 CD GLU A 49 -20.458 -0.507 -7.654 1.00 0.00 C ATOM 519 OE1 GLU A 49 -19.855 0.455 -8.211 1.00 0.00 O ATOM 520 OE2 GLU A 49 -21.690 -0.503 -7.472 1.00 0.00 O ATOM 0 H GLU A 49 -20.533 -3.554 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.848 -3.321 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.826 -1.333 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.277 -0.927 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.907 -1.905 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.367 -2.591 -7.305 1.00 0.00 H new ATOM 527 N LYS A 50 -18.292 -3.266 -3.087 1.00 0.00 N ATOM 528 CA LYS A 50 -17.576 -3.318 -1.818 1.00 0.00 C ATOM 529 C LYS A 50 -16.432 -4.344 -1.925 1.00 0.00 C ATOM 530 O LYS A 50 -15.258 -4.048 -1.635 1.00 0.00 O ATOM 531 CB LYS A 50 -18.553 -3.760 -0.739 1.00 0.00 C ATOM 532 CG LYS A 50 -18.253 -3.294 0.657 1.00 0.00 C ATOM 533 CD LYS A 50 -18.357 -1.791 0.727 1.00 0.00 C ATOM 534 CE LYS A 50 -18.363 -1.290 2.151 1.00 0.00 C ATOM 535 NZ LYS A 50 -19.573 -1.694 2.883 1.00 0.00 N ATOM 0 H LYS A 50 -19.291 -3.456 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.161 -2.340 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.548 -3.407 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.591 -4.849 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.951 -3.749 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.252 -3.613 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.521 -1.344 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.269 -1.467 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.484 -1.670 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.288 -0.203 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.425 -1.554 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.378 -1.116 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.773 -2.697 2.696 1.00 0.00 H new ATOM 549 N ALA A 51 -16.785 -5.504 -2.408 1.00 0.00 N ATOM 550 CA ALA A 51 -15.839 -6.572 -2.634 1.00 0.00 C ATOM 551 C ALA A 51 -14.839 -6.166 -3.718 1.00 0.00 C ATOM 552 O ALA A 51 -13.631 -6.422 -3.596 1.00 0.00 O ATOM 553 CB ALA A 51 -16.570 -7.853 -3.016 1.00 0.00 C ATOM 0 H ALA A 51 -17.745 -5.740 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.287 -6.760 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.845 -8.650 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.245 -8.141 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.143 -7.687 -3.928 1.00 0.00 H new ATOM 559 N ARG A 52 -15.345 -5.492 -4.751 1.00 0.00 N ATOM 560 CA ARG A 52 -14.520 -5.012 -5.858 1.00 0.00 C ATOM 561 C ARG A 52 -13.464 -4.024 -5.362 1.00 0.00 C ATOM 562 O ARG A 52 -12.317 -4.092 -5.781 1.00 0.00 O ATOM 563 CB ARG A 52 -15.360 -4.308 -6.916 1.00 0.00 C ATOM 564 CG ARG A 52 -14.571 -3.929 -8.168 1.00 0.00 C ATOM 565 CD ARG A 52 -15.273 -2.842 -8.955 1.00 0.00 C ATOM 566 NE ARG A 52 -15.260 -1.561 -8.230 1.00 0.00 N ATOM 567 CZ ARG A 52 -16.222 -0.635 -8.278 1.00 0.00 C ATOM 568 NH1 ARG A 52 -17.271 -0.782 -9.077 1.00 0.00 N ATOM 569 NH2 ARG A 52 -16.112 0.451 -7.543 1.00 0.00 N ATOM 0 H ARG A 52 -16.335 -5.264 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.042 -5.889 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.189 -4.956 -7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.794 -3.407 -6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.575 -3.589 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.440 -4.809 -8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.786 -2.719 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.303 -3.140 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.450 -1.364 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.351 -1.611 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.997 -0.066 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.297 0.580 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.841 1.163 -7.573 1.00 0.00 H new ATOM 583 N LEU A 53 -13.855 -3.089 -4.483 1.00 0.00 N ATOM 584 CA LEU A 53 -12.879 -2.103 -3.977 1.00 0.00 C ATOM 585 C LEU A 53 -11.791 -2.821 -3.188 1.00 0.00 C ATOM 586 O LEU A 53 -10.626 -2.446 -3.236 1.00 0.00 O ATOM 587 CB LEU A 53 -13.542 -1.001 -3.106 1.00 0.00 C ATOM 588 CG LEU A 53 -13.668 -1.284 -1.596 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.467 -0.769 -0.812 1.00 0.00 C ATOM 590 CD2 LEU A 53 -14.915 -0.715 -1.045 1.00 0.00 C ATOM 0 H LEU A 53 -14.802 -2.992 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.441 -1.600 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.971 -0.081 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.541 -0.813 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.699 -2.368 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.601 -0.991 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.561 -1.256 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.379 0.309 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.974 -0.932 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.921 0.364 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -15.772 -1.157 -1.553 1.00 0.00 H new ATOM 602 N LEU A 54 -12.167 -3.862 -2.465 1.00 0.00 N ATOM 603 CA LEU A 54 -11.188 -4.608 -1.711 1.00 0.00 C ATOM 604 C LEU A 54 -10.230 -5.324 -2.631 1.00 0.00 C ATOM 605 O LEU A 54 -9.034 -5.399 -2.365 1.00 0.00 O ATOM 606 CB LEU A 54 -11.840 -5.510 -0.684 1.00 0.00 C ATOM 607 CG LEU A 54 -12.619 -4.747 0.389 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.218 -5.687 1.414 1.00 0.00 C ATOM 609 CD2 LEU A 54 -11.726 -3.694 1.052 1.00 0.00 C ATOM 0 H LEU A 54 -13.126 -4.201 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.586 -3.905 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.516 -6.198 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.072 -6.115 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.448 -4.233 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.764 -5.111 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.900 -6.378 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.422 -6.250 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.296 -3.160 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.870 -4.183 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.376 -2.988 0.299 1.00 0.00 H new ATOM 621 N ARG A 55 -10.750 -5.766 -3.750 1.00 0.00 N ATOM 622 CA ARG A 55 -9.950 -6.333 -4.817 1.00 0.00 C ATOM 623 C ARG A 55 -8.953 -5.270 -5.342 1.00 0.00 C ATOM 624 O ARG A 55 -7.815 -5.591 -5.691 1.00 0.00 O ATOM 625 CB ARG A 55 -10.879 -6.808 -5.935 1.00 0.00 C ATOM 626 CG ARG A 55 -10.199 -7.236 -7.215 1.00 0.00 C ATOM 627 CD ARG A 55 -11.236 -7.586 -8.254 1.00 0.00 C ATOM 628 NE ARG A 55 -10.648 -7.859 -9.557 1.00 0.00 N ATOM 629 CZ ARG A 55 -11.304 -8.357 -10.601 1.00 0.00 C ATOM 630 NH1 ARG A 55 -12.597 -8.678 -10.497 1.00 0.00 N ATOM 631 NH2 ARG A 55 -10.670 -8.521 -11.753 1.00 0.00 N ATOM 0 H ARG A 55 -11.750 -5.744 -3.951 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.378 -7.184 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.469 -7.645 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.578 -6.004 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.559 -6.434 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.556 -8.096 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.798 -8.459 -7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.947 -6.765 -8.344 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.657 -7.652 -9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.087 -8.541 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.094 -9.060 -11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.686 -8.266 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.166 -8.902 -12.558 1.00 0.00 H new ATOM 645 N GLU A 56 -9.370 -4.004 -5.327 1.00 0.00 N ATOM 646 CA GLU A 56 -8.512 -2.910 -5.780 1.00 0.00 C ATOM 647 C GLU A 56 -7.346 -2.731 -4.813 1.00 0.00 C ATOM 648 O GLU A 56 -6.208 -2.479 -5.222 1.00 0.00 O ATOM 649 CB GLU A 56 -9.304 -1.603 -5.906 1.00 0.00 C ATOM 650 CG GLU A 56 -10.438 -1.652 -6.918 1.00 0.00 C ATOM 651 CD GLU A 56 -9.970 -1.680 -8.356 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.378 -2.681 -8.802 1.00 0.00 O ATOM 653 OE2 GLU A 56 -10.218 -0.693 -9.080 1.00 0.00 O ATOM 0 H GLU A 56 -10.293 -3.712 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.124 -3.164 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.715 -1.346 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.619 -0.802 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.046 -2.536 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.081 -0.784 -6.772 1.00 0.00 H new ATOM 660 N LEU A 57 -7.609 -2.902 -3.523 1.00 0.00 N ATOM 661 CA LEU A 57 -6.554 -2.797 -2.551 1.00 0.00 C ATOM 662 C LEU A 57 -5.653 -3.998 -2.608 1.00 0.00 C ATOM 663 O LEU A 57 -4.486 -3.899 -2.300 1.00 0.00 O ATOM 664 CB LEU A 57 -6.981 -2.359 -1.120 1.00 0.00 C ATOM 665 CG LEU A 57 -7.889 -3.255 -0.271 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.154 -4.477 0.252 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.450 -2.455 0.876 1.00 0.00 C ATOM 0 H LEU A 57 -8.531 -3.110 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.958 -1.935 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.068 -2.193 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.478 -1.394 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.699 -3.613 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.835 -5.084 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.784 -5.066 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.315 -4.160 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.096 -3.091 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.633 -2.078 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.027 -1.616 0.487 1.00 0.00 H new ATOM 679 N THR A 58 -6.212 -5.137 -3.009 1.00 0.00 N ATOM 680 CA THR A 58 -5.433 -6.339 -3.209 1.00 0.00 C ATOM 681 C THR A 58 -4.371 -6.078 -4.299 1.00 0.00 C ATOM 682 O THR A 58 -3.204 -6.436 -4.152 1.00 0.00 O ATOM 683 CB THR A 58 -6.344 -7.517 -3.638 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.361 -7.728 -2.646 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.540 -8.796 -3.828 1.00 0.00 C ATOM 0 H THR A 58 -7.208 -5.245 -3.201 1.00 0.00 H new ATOM 0 HA THR A 58 -4.946 -6.606 -2.271 1.00 0.00 H new ATOM 0 HB THR A 58 -6.805 -7.260 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.972 -6.962 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.207 -9.604 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.787 -8.641 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.050 -9.060 -2.891 1.00 0.00 H new ATOM 693 N VAL A 59 -4.776 -5.395 -5.354 1.00 0.00 N ATOM 694 CA VAL A 59 -3.845 -5.015 -6.412 1.00 0.00 C ATOM 695 C VAL A 59 -2.827 -4.013 -5.844 1.00 0.00 C ATOM 696 O VAL A 59 -1.621 -4.116 -6.085 1.00 0.00 O ATOM 697 CB VAL A 59 -4.582 -4.372 -7.625 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.606 -4.022 -8.742 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.678 -5.291 -8.153 1.00 0.00 C ATOM 0 H VAL A 59 -5.738 -5.091 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.343 -5.915 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.045 -3.450 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.150 -3.575 -9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.866 -3.313 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.102 -4.927 -9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.175 -4.816 -8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.238 -6.235 -8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.406 -5.480 -7.364 1.00 0.00 H new ATOM 709 N SER A 60 -3.327 -3.102 -5.032 1.00 0.00 N ATOM 710 CA SER A 60 -2.519 -2.063 -4.421 1.00 0.00 C ATOM 711 C SER A 60 -1.436 -2.633 -3.521 1.00 0.00 C ATOM 712 O SER A 60 -0.259 -2.242 -3.607 1.00 0.00 O ATOM 713 CB SER A 60 -3.403 -1.083 -3.674 1.00 0.00 C ATOM 714 OG SER A 60 -4.422 -0.606 -4.534 1.00 0.00 O ATOM 0 H SER A 60 -4.313 -3.061 -4.775 1.00 0.00 H new ATOM 0 HA SER A 60 -2.006 -1.528 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.846 -1.568 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.806 -0.249 -3.304 1.00 0.00 H new ATOM 0 HG SER A 60 -4.811 0.211 -4.158 1.00 0.00 H new ATOM 720 N GLU A 61 -1.814 -3.574 -2.702 1.00 0.00 N ATOM 721 CA GLU A 61 -0.877 -4.213 -1.829 1.00 0.00 C ATOM 722 C GLU A 61 0.104 -5.043 -2.633 1.00 0.00 C ATOM 723 O GLU A 61 1.233 -5.220 -2.231 1.00 0.00 O ATOM 724 CB GLU A 61 -1.516 -5.045 -0.704 1.00 0.00 C ATOM 725 CG GLU A 61 -2.300 -6.249 -1.154 1.00 0.00 C ATOM 726 CD GLU A 61 -2.729 -7.102 0.000 1.00 0.00 C ATOM 727 OE1 GLU A 61 -1.951 -7.991 0.409 1.00 0.00 O ATOM 728 OE2 GLU A 61 -3.832 -6.907 0.521 1.00 0.00 O ATOM 0 H GLU A 61 -2.772 -3.916 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.348 -3.409 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.727 -5.378 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.177 -4.398 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.179 -5.922 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.693 -6.842 -1.838 1.00 0.00 H new ATOM 735 N ALA A 62 -0.339 -5.540 -3.774 1.00 0.00 N ATOM 736 CA ALA A 62 0.508 -6.354 -4.612 1.00 0.00 C ATOM 737 C ALA A 62 1.689 -5.570 -5.156 1.00 0.00 C ATOM 738 O ALA A 62 2.829 -6.052 -5.108 1.00 0.00 O ATOM 739 CB ALA A 62 -0.273 -7.043 -5.721 1.00 0.00 C ATOM 0 H ALA A 62 -1.281 -5.392 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 62 0.913 -7.142 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.407 -7.644 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.035 -7.687 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.751 -6.292 -6.350 1.00 0.00 H new ATOM 745 N PHE A 63 1.467 -4.357 -5.644 1.00 0.00 N ATOM 746 CA PHE A 63 2.603 -3.598 -6.154 1.00 0.00 C ATOM 747 C PHE A 63 3.441 -3.019 -5.036 1.00 0.00 C ATOM 748 O PHE A 63 4.656 -2.893 -5.169 1.00 0.00 O ATOM 749 CB PHE A 63 2.272 -2.577 -7.267 1.00 0.00 C ATOM 750 CG PHE A 63 1.135 -1.675 -6.972 1.00 0.00 C ATOM 751 CD1 PHE A 63 1.262 -0.634 -6.074 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.078 -1.890 -7.578 1.00 0.00 C ATOM 753 CE1 PHE A 63 0.193 0.168 -5.791 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.148 -1.103 -7.292 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.014 -0.074 -6.400 1.00 0.00 C ATOM 0 H PHE A 63 0.560 -3.894 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 63 3.220 -4.332 -6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.157 -1.970 -7.458 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.055 -3.122 -8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.212 -0.453 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.183 -2.695 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.296 0.986 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.100 -1.289 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.864 0.553 -6.173 1.00 0.00 H new ATOM 765 N ILE A 64 2.799 -2.676 -3.924 1.00 0.00 N ATOM 766 CA ILE A 64 3.524 -2.141 -2.789 1.00 0.00 C ATOM 767 C ILE A 64 4.416 -3.256 -2.188 1.00 0.00 C ATOM 768 O ILE A 64 5.576 -3.021 -1.844 1.00 0.00 O ATOM 769 CB ILE A 64 2.552 -1.462 -1.730 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.266 -0.382 -0.898 1.00 0.00 C ATOM 771 CG2 ILE A 64 1.913 -2.477 -0.790 1.00 0.00 C ATOM 772 CD1 ILE A 64 4.256 -0.890 0.132 1.00 0.00 C ATOM 0 H ILE A 64 1.791 -2.759 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 64 4.178 -1.334 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 64 1.765 -0.992 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.791 0.287 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.511 0.214 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.259 -1.961 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.330 -3.193 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.692 -3.004 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.699 -0.045 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.741 -1.533 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.041 -1.458 -0.367 1.00 0.00 H new ATOM 784 N GLU A 65 3.891 -4.477 -2.152 1.00 0.00 N ATOM 785 CA GLU A 65 4.630 -5.615 -1.671 1.00 0.00 C ATOM 786 C GLU A 65 5.763 -5.928 -2.640 1.00 0.00 C ATOM 787 O GLU A 65 6.894 -6.220 -2.228 1.00 0.00 O ATOM 788 CB GLU A 65 3.704 -6.816 -1.529 1.00 0.00 C ATOM 789 CG GLU A 65 4.361 -8.031 -0.948 1.00 0.00 C ATOM 790 CD GLU A 65 4.829 -7.821 0.460 1.00 0.00 C ATOM 791 OE1 GLU A 65 5.761 -7.031 0.686 1.00 0.00 O ATOM 792 OE2 GLU A 65 4.256 -8.431 1.382 1.00 0.00 O ATOM 0 H GLU A 65 2.942 -4.694 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 65 5.052 -5.388 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.859 -6.537 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.301 -7.068 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.659 -8.865 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.211 -8.312 -1.570 1.00 0.00 H new ATOM 799 N GLY A 66 5.458 -5.831 -3.929 1.00 0.00 N ATOM 800 CA GLY A 66 6.452 -6.034 -4.961 1.00 0.00 C ATOM 801 C GLY A 66 7.574 -5.021 -4.854 1.00 0.00 C ATOM 802 O GLY A 66 8.743 -5.341 -5.084 1.00 0.00 O ATOM 0 H GLY A 66 4.525 -5.612 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.860 -7.041 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.982 -5.957 -5.941 1.00 0.00 H new ATOM 806 N SER A 67 7.221 -3.813 -4.451 1.00 0.00 N ATOM 807 CA SER A 67 8.179 -2.763 -4.262 1.00 0.00 C ATOM 808 C SER A 67 9.064 -3.092 -3.078 1.00 0.00 C ATOM 809 O SER A 67 10.258 -2.821 -3.091 1.00 0.00 O ATOM 810 CB SER A 67 7.476 -1.419 -4.065 1.00 0.00 C ATOM 811 OG SER A 67 6.700 -1.075 -5.216 1.00 0.00 O ATOM 0 H SER A 67 6.259 -3.542 -4.248 1.00 0.00 H new ATOM 0 HA SER A 67 8.801 -2.682 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.831 -1.467 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.216 -0.642 -3.875 1.00 0.00 H new ATOM 0 HG SER A 67 6.009 -1.755 -5.360 1.00 0.00 H new ATOM 817 N ARG A 68 8.494 -3.718 -2.070 1.00 0.00 N ATOM 818 CA ARG A 68 9.280 -4.098 -0.924 1.00 0.00 C ATOM 819 C ARG A 68 10.238 -5.211 -1.263 1.00 0.00 C ATOM 820 O ARG A 68 11.392 -5.205 -0.818 1.00 0.00 O ATOM 821 CB ARG A 68 8.466 -4.406 0.320 1.00 0.00 C ATOM 822 CG ARG A 68 7.577 -3.273 0.787 1.00 0.00 C ATOM 823 CD ARG A 68 7.040 -3.544 2.179 1.00 0.00 C ATOM 824 NE ARG A 68 6.374 -4.848 2.294 1.00 0.00 N ATOM 825 CZ ARG A 68 5.962 -5.388 3.440 1.00 0.00 C ATOM 826 NH1 ARG A 68 6.182 -4.766 4.597 1.00 0.00 N ATOM 827 NH2 ARG A 68 5.360 -6.563 3.424 1.00 0.00 N ATOM 0 H ARG A 68 7.507 -3.969 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 68 9.862 -3.214 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.846 -5.281 0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.148 -4.672 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.140 -2.340 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.748 -3.146 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.861 -3.497 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.336 -2.757 2.450 1.00 0.00 H new ATOM 0 HE ARG A 68 6.216 -5.377 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.669 -3.870 4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.863 -5.186 5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.214 -7.049 2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.041 -6.985 4.296 1.00 0.00 H new ATOM 841 N GLY A 69 9.778 -6.133 -2.081 1.00 0.00 N ATOM 842 CA GLY A 69 10.633 -7.187 -2.563 1.00 0.00 C ATOM 843 C GLY A 69 11.745 -6.616 -3.414 1.00 0.00 C ATOM 844 O GLY A 69 12.856 -7.121 -3.414 1.00 0.00 O ATOM 0 H GLY A 69 8.818 -6.171 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.056 -7.735 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.049 -7.899 -3.146 1.00 0.00 H new ATOM 848 N TYR A 70 11.448 -5.496 -4.046 1.00 0.00 N ATOM 849 CA TYR A 70 12.356 -4.789 -4.935 1.00 0.00 C ATOM 850 C TYR A 70 13.475 -4.212 -4.108 1.00 0.00 C ATOM 851 O TYR A 70 14.650 -4.347 -4.452 1.00 0.00 O ATOM 852 CB TYR A 70 11.551 -3.689 -5.673 1.00 0.00 C ATOM 853 CG TYR A 70 12.316 -2.627 -6.445 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.741 -1.462 -5.811 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.559 -2.753 -7.807 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.391 -0.466 -6.500 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.204 -1.747 -8.510 1.00 0.00 C ATOM 858 CZ TYR A 70 13.617 -0.606 -7.846 1.00 0.00 C ATOM 859 OH TYR A 70 14.250 0.409 -8.540 1.00 0.00 O ATOM 0 H TYR A 70 10.541 -5.038 -3.953 1.00 0.00 H new ATOM 0 HA TYR A 70 12.794 -5.451 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.875 -4.184 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.931 -3.180 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.556 -1.338 -4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.241 -3.646 -8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.722 0.423 -5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.383 -1.854 -9.570 1.00 0.00 H new ATOM 0 HH TYR A 70 14.336 0.156 -9.483 1.00 0.00 H new ATOM 869 N PHE A 71 13.099 -3.611 -2.994 1.00 0.00 N ATOM 870 CA PHE A 71 14.045 -3.041 -2.063 1.00 0.00 C ATOM 871 C PHE A 71 14.916 -4.111 -1.434 1.00 0.00 C ATOM 872 O PHE A 71 16.107 -3.907 -1.242 1.00 0.00 O ATOM 873 CB PHE A 71 13.368 -2.170 -1.009 1.00 0.00 C ATOM 874 CG PHE A 71 12.712 -0.948 -1.583 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.435 -0.066 -2.365 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.387 -0.675 -1.336 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.848 1.060 -2.886 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.796 0.448 -1.859 1.00 0.00 C ATOM 879 CZ PHE A 71 11.524 1.314 -2.632 1.00 0.00 C ATOM 0 H PHE A 71 12.124 -3.506 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 71 14.697 -2.382 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.620 -2.763 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.108 -1.864 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.477 -0.266 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.806 -1.350 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.425 1.742 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.754 0.650 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.055 2.197 -3.041 1.00 0.00 H new ATOM 889 N GLN A 72 14.315 -5.250 -1.115 1.00 0.00 N ATOM 890 CA GLN A 72 15.057 -6.393 -0.584 1.00 0.00 C ATOM 891 C GLN A 72 16.169 -6.828 -1.557 1.00 0.00 C ATOM 892 O GLN A 72 17.270 -7.200 -1.133 1.00 0.00 O ATOM 893 CB GLN A 72 14.108 -7.545 -0.263 1.00 0.00 C ATOM 894 CG GLN A 72 13.170 -7.251 0.903 1.00 0.00 C ATOM 895 CD GLN A 72 12.152 -8.347 1.150 1.00 0.00 C ATOM 896 OE1 GLN A 72 12.390 -9.518 0.873 1.00 0.00 O ATOM 897 NE2 GLN A 72 11.019 -7.980 1.677 1.00 0.00 N ATOM 0 H GLN A 72 13.313 -5.410 -1.214 1.00 0.00 H new ATOM 0 HA GLN A 72 15.539 -6.090 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.514 -7.774 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.694 -8.435 -0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.761 -7.105 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.645 -6.315 0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.853 -6.998 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.298 -8.675 1.871 1.00 0.00 H new ATOM 906 N ARG A 73 15.880 -6.758 -2.855 1.00 0.00 N ATOM 907 CA ARG A 73 16.898 -7.016 -3.885 1.00 0.00 C ATOM 908 C ARG A 73 17.931 -5.893 -3.900 1.00 0.00 C ATOM 909 O ARG A 73 19.133 -6.149 -3.932 1.00 0.00 O ATOM 910 CB ARG A 73 16.290 -7.188 -5.297 1.00 0.00 C ATOM 911 CG ARG A 73 15.722 -8.569 -5.648 1.00 0.00 C ATOM 912 CD ARG A 73 14.628 -9.017 -4.723 1.00 0.00 C ATOM 913 NE ARG A 73 14.110 -10.340 -5.059 1.00 0.00 N ATOM 914 CZ ARG A 73 13.060 -10.919 -4.467 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.364 -10.255 -3.553 1.00 0.00 N ATOM 916 NH2 ARG A 73 12.700 -12.146 -4.812 1.00 0.00 N ATOM 0 H ARG A 73 14.957 -6.527 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 73 17.379 -7.959 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.493 -6.454 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 73 17.059 -6.942 -6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.339 -8.547 -6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.529 -9.302 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.005 -9.028 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.813 -8.294 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 73 14.583 -10.860 -5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.630 -9.303 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.563 -10.697 -3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.224 -12.649 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.899 -12.588 -4.361 1.00 0.00 H new ATOM 930 N GLU A 74 17.457 -4.661 -3.830 1.00 0.00 N ATOM 931 CA GLU A 74 18.326 -3.475 -3.850 1.00 0.00 C ATOM 932 C GLU A 74 19.294 -3.456 -2.673 1.00 0.00 C ATOM 933 O GLU A 74 20.389 -2.932 -2.777 1.00 0.00 O ATOM 934 CB GLU A 74 17.526 -2.172 -3.899 1.00 0.00 C ATOM 935 CG GLU A 74 16.656 -2.001 -5.131 1.00 0.00 C ATOM 936 CD GLU A 74 17.439 -2.053 -6.414 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.011 -1.027 -6.821 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.475 -3.114 -7.052 1.00 0.00 O ATOM 0 H GLU A 74 16.463 -4.445 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 74 18.909 -3.545 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.892 -2.119 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.221 -1.334 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.896 -2.782 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.132 -1.047 -5.070 1.00 0.00 H new ATOM 945 N LEU A 75 18.890 -4.036 -1.569 1.00 0.00 N ATOM 946 CA LEU A 75 19.740 -4.126 -0.396 1.00 0.00 C ATOM 947 C LEU A 75 20.948 -5.061 -0.667 1.00 0.00 C ATOM 948 O LEU A 75 21.962 -5.009 0.021 1.00 0.00 O ATOM 949 CB LEU A 75 18.912 -4.599 0.812 1.00 0.00 C ATOM 950 CG LEU A 75 19.625 -4.659 2.170 1.00 0.00 C ATOM 951 CD1 LEU A 75 20.182 -3.298 2.557 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.666 -5.138 3.237 1.00 0.00 C ATOM 0 H LEU A 75 17.969 -4.458 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 75 20.141 -3.139 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.051 -3.938 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.526 -5.594 0.589 1.00 0.00 H new ATOM 0 HG LEU A 75 20.456 -5.359 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 75 20.682 -3.371 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 75 20.897 -2.970 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 75 19.367 -2.577 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 75 19.180 -5.178 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.824 -4.450 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.302 -6.133 2.979 1.00 0.00 H new ATOM 964 N LYS A 76 20.833 -5.876 -1.705 1.00 0.00 N ATOM 965 CA LYS A 76 21.875 -6.822 -2.097 1.00 0.00 C ATOM 966 C LYS A 76 22.695 -6.287 -3.281 1.00 0.00 C ATOM 967 O LYS A 76 23.655 -6.912 -3.718 1.00 0.00 O ATOM 968 CB LYS A 76 21.255 -8.177 -2.434 1.00 0.00 C ATOM 969 CG LYS A 76 20.561 -8.828 -1.252 1.00 0.00 C ATOM 970 CD LYS A 76 19.850 -10.102 -1.655 1.00 0.00 C ATOM 971 CE LYS A 76 19.194 -10.774 -0.455 1.00 0.00 C ATOM 972 NZ LYS A 76 18.214 -9.893 0.219 1.00 0.00 N ATOM 0 H LYS A 76 20.009 -5.902 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 76 22.556 -6.949 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.536 -8.049 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.034 -8.844 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.294 -9.050 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.842 -8.130 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.093 -9.876 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.561 -10.788 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.694 -11.686 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.964 -11.070 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.349 -10.431 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.621 -9.536 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.983 -9.092 -0.402 1.00 0.00 H new ATOM 986 N ARG A 77 22.268 -5.145 -3.803 1.00 0.00 N ATOM 987 CA ARG A 77 22.842 -4.495 -5.007 1.00 0.00 C ATOM 988 C ARG A 77 24.371 -4.270 -4.928 1.00 0.00 C ATOM 989 O ARG A 77 25.044 -4.217 -5.963 1.00 0.00 O ATOM 990 CB ARG A 77 22.127 -3.145 -5.209 1.00 0.00 C ATOM 991 CG ARG A 77 22.526 -2.327 -6.425 1.00 0.00 C ATOM 992 CD ARG A 77 21.606 -1.118 -6.557 1.00 0.00 C ATOM 993 NE ARG A 77 22.009 -0.204 -7.636 1.00 0.00 N ATOM 994 CZ ARG A 77 21.170 0.399 -8.482 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.860 0.174 -8.411 1.00 0.00 N ATOM 996 NH2 ARG A 77 21.643 1.262 -9.377 1.00 0.00 N ATOM 0 H ARG A 77 21.492 -4.619 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 77 22.684 -5.168 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.055 -3.335 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.296 -2.536 -4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.561 -1.999 -6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 77 22.466 -2.941 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.588 -1.461 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.593 -0.573 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 77 23.005 -0.016 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.489 -0.463 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.227 0.639 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.643 1.461 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.006 1.725 -10.025 1.00 0.00 H new ATOM 1010 N THR A 78 24.906 -4.121 -3.710 1.00 0.00 N ATOM 1011 CA THR A 78 26.331 -3.786 -3.451 1.00 0.00 C ATOM 1012 C THR A 78 26.628 -2.302 -3.806 1.00 0.00 C ATOM 1013 O THR A 78 27.359 -1.601 -3.093 1.00 0.00 O ATOM 1014 CB THR A 78 27.289 -4.774 -4.155 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.909 -6.112 -3.773 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.730 -4.542 -3.732 1.00 0.00 C ATOM 0 H THR A 78 24.360 -4.230 -2.855 1.00 0.00 H new ATOM 0 HA THR A 78 26.515 -3.898 -2.383 1.00 0.00 H new ATOM 0 HB THR A 78 27.219 -4.627 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.503 -6.758 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.379 -5.253 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 78 29.027 -3.526 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.820 -4.681 -2.655 1.00 0.00 H new ATOM 1024 N ASP A 79 26.008 -1.840 -4.866 1.00 0.00 N ATOM 1025 CA ASP A 79 26.026 -0.451 -5.282 1.00 0.00 C ATOM 1026 C ASP A 79 24.932 0.321 -4.517 1.00 0.00 C ATOM 1027 O ASP A 79 23.876 0.654 -5.039 1.00 0.00 O ATOM 1028 CB ASP A 79 25.872 -0.367 -6.828 1.00 0.00 C ATOM 1029 CG ASP A 79 25.521 1.002 -7.391 1.00 0.00 C ATOM 1030 OD1 ASP A 79 26.308 1.949 -7.260 1.00 0.00 O ATOM 1031 OD2 ASP A 79 24.424 1.133 -7.998 1.00 0.00 O ATOM 0 H ASP A 79 25.459 -2.437 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 79 26.979 0.017 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 79 26.805 -0.697 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 79 25.100 -1.073 -7.135 1.00 0.00 H new ATOM 1036 N LEU A 80 25.158 0.457 -3.235 1.00 0.00 N ATOM 1037 CA LEU A 80 24.282 1.150 -2.322 1.00 0.00 C ATOM 1038 C LEU A 80 25.082 1.430 -1.091 1.00 0.00 C ATOM 1039 O LEU A 80 26.112 0.784 -0.848 1.00 0.00 O ATOM 1040 CB LEU A 80 23.072 0.269 -1.900 1.00 0.00 C ATOM 1041 CG LEU A 80 23.349 -0.847 -0.857 1.00 0.00 C ATOM 1042 CD1 LEU A 80 22.075 -1.315 -0.233 1.00 0.00 C ATOM 1043 CD2 LEU A 80 24.034 -2.025 -1.478 1.00 0.00 C ATOM 0 H LEU A 80 25.987 0.074 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 80 23.901 2.049 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.298 0.924 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.662 -0.197 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 80 24.000 -0.414 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.292 -2.097 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.586 -0.479 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.416 -1.711 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 80 24.211 -2.785 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.404 -2.439 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.986 -1.709 -1.904 1.00 0.00 H new ATOM 1055 N ASP A 81 24.645 2.370 -0.349 1.00 0.00 N ATOM 1056 CA ASP A 81 25.233 2.684 0.916 1.00 0.00 C ATOM 1057 C ASP A 81 24.127 2.777 1.912 1.00 0.00 C ATOM 1058 O ASP A 81 22.976 2.435 1.591 1.00 0.00 O ATOM 1059 CB ASP A 81 26.027 3.998 0.872 1.00 0.00 C ATOM 1060 CG ASP A 81 27.242 3.929 -0.010 1.00 0.00 C ATOM 1061 OD1 ASP A 81 28.273 3.366 0.419 1.00 0.00 O ATOM 1062 OD2 ASP A 81 27.190 4.429 -1.149 1.00 0.00 O ATOM 0 H ASP A 81 23.853 2.962 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 81 25.943 1.904 1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 81 25.375 4.797 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 81 26.335 4.262 1.884 1.00 0.00 H new ATOM 1067 N LEU A 82 24.441 3.247 3.091 1.00 0.00 N ATOM 1068 CA LEU A 82 23.464 3.463 4.143 1.00 0.00 C ATOM 1069 C LEU A 82 22.320 4.368 3.677 1.00 0.00 C ATOM 1070 O LEU A 82 21.202 4.234 4.121 1.00 0.00 O ATOM 1071 CB LEU A 82 24.146 3.934 5.460 1.00 0.00 C ATOM 1072 CG LEU A 82 25.080 5.169 5.406 1.00 0.00 C ATOM 1073 CD1 LEU A 82 24.310 6.472 5.287 1.00 0.00 C ATOM 1074 CD2 LEU A 82 25.985 5.205 6.617 1.00 0.00 C ATOM 0 H LEU A 82 25.393 3.496 3.358 1.00 0.00 H new ATOM 0 HA LEU A 82 22.997 2.507 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.359 4.144 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.724 3.097 5.852 1.00 0.00 H new ATOM 0 HG LEU A 82 25.688 5.068 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.010 7.307 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.714 6.461 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 82 23.652 6.586 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.633 6.079 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 82 25.380 5.259 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 82 26.595 4.302 6.642 1.00 0.00 H new ATOM 1086 N LEU A 83 22.633 5.269 2.754 1.00 0.00 N ATOM 1087 CA LEU A 83 21.656 6.184 2.162 1.00 0.00 C ATOM 1088 C LEU A 83 20.549 5.382 1.492 1.00 0.00 C ATOM 1089 O LEU A 83 19.361 5.624 1.704 1.00 0.00 O ATOM 1090 CB LEU A 83 22.391 7.050 1.109 1.00 0.00 C ATOM 1091 CG LEU A 83 21.691 8.323 0.555 1.00 0.00 C ATOM 1092 CD1 LEU A 83 20.489 8.010 -0.327 1.00 0.00 C ATOM 1093 CD2 LEU A 83 21.292 9.249 1.693 1.00 0.00 C ATOM 0 H LEU A 83 23.578 5.389 2.390 1.00 0.00 H new ATOM 0 HA LEU A 83 21.212 6.819 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 83 23.341 7.360 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.624 6.407 0.260 1.00 0.00 H new ATOM 0 HG LEU A 83 22.419 8.826 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.046 8.941 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.810 7.413 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.750 7.452 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.803 10.135 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 83 20.605 8.730 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 83 22.181 9.547 2.248 1.00 0.00 H new ATOM 1105 N GLU A 84 20.950 4.417 0.727 1.00 0.00 N ATOM 1106 CA GLU A 84 20.033 3.588 0.012 1.00 0.00 C ATOM 1107 C GLU A 84 19.295 2.700 0.966 1.00 0.00 C ATOM 1108 O GLU A 84 18.087 2.547 0.859 1.00 0.00 O ATOM 1109 CB GLU A 84 20.764 2.797 -1.038 1.00 0.00 C ATOM 1110 CG GLU A 84 21.297 3.657 -2.166 1.00 0.00 C ATOM 1111 CD GLU A 84 20.186 4.371 -2.898 1.00 0.00 C ATOM 1112 OE1 GLU A 84 19.799 5.473 -2.491 1.00 0.00 O ATOM 1113 OE2 GLU A 84 19.676 3.832 -3.894 1.00 0.00 O ATOM 0 H GLU A 84 21.931 4.180 0.580 1.00 0.00 H new ATOM 0 HA GLU A 84 19.297 4.211 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.593 2.265 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.093 2.043 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.998 4.389 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.853 3.034 -2.867 1.00 0.00 H new ATOM 1120 N LYS A 85 20.024 2.176 1.955 1.00 0.00 N ATOM 1121 CA LYS A 85 19.443 1.347 2.994 1.00 0.00 C ATOM 1122 C LYS A 85 18.360 2.092 3.658 1.00 0.00 C ATOM 1123 O LYS A 85 17.298 1.567 3.850 1.00 0.00 O ATOM 1124 CB LYS A 85 20.446 0.969 4.073 1.00 0.00 C ATOM 1125 CG LYS A 85 21.546 0.046 3.654 1.00 0.00 C ATOM 1126 CD LYS A 85 22.477 -0.314 4.825 1.00 0.00 C ATOM 1127 CE LYS A 85 21.797 -1.131 5.966 1.00 0.00 C ATOM 1128 NZ LYS A 85 20.928 -0.329 6.901 1.00 0.00 N ATOM 0 H LYS A 85 21.029 2.319 2.051 1.00 0.00 H new ATOM 0 HA LYS A 85 19.087 0.439 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.895 1.884 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.905 0.506 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.116 -0.866 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.128 0.513 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.320 -0.886 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.882 0.606 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.190 -1.917 5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.574 -1.624 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.080 -0.651 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.175 0.679 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.929 -0.461 6.645 1.00 0.00 H new ATOM 1142 N PHE A 86 18.625 3.363 3.924 1.00 0.00 N ATOM 1143 CA PHE A 86 17.704 4.222 4.618 1.00 0.00 C ATOM 1144 C PHE A 86 16.370 4.318 3.891 1.00 0.00 C ATOM 1145 O PHE A 86 15.340 4.399 4.511 1.00 0.00 O ATOM 1146 CB PHE A 86 18.333 5.609 4.871 1.00 0.00 C ATOM 1147 CG PHE A 86 17.440 6.615 5.551 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.385 6.688 6.930 1.00 0.00 C ATOM 1149 CD2 PHE A 86 16.665 7.493 4.806 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.575 7.611 7.554 1.00 0.00 C ATOM 1151 CE2 PHE A 86 15.851 8.417 5.426 1.00 0.00 C ATOM 1152 CZ PHE A 86 15.806 8.475 6.802 1.00 0.00 C ATOM 0 H PHE A 86 19.496 3.822 3.658 1.00 0.00 H new ATOM 0 HA PHE A 86 17.494 3.777 5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.229 5.477 5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.654 6.022 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 86 17.984 6.014 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 86 16.700 7.452 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.542 7.658 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.251 9.093 4.835 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.169 9.197 7.292 1.00 0.00 H new ATOM 1162 N ASN A 87 16.422 4.258 2.597 1.00 0.00 N ATOM 1163 CA ASN A 87 15.257 4.314 1.744 1.00 0.00 C ATOM 1164 C ASN A 87 14.518 3.014 1.805 1.00 0.00 C ATOM 1165 O ASN A 87 13.301 2.991 1.867 1.00 0.00 O ATOM 1166 CB ASN A 87 15.621 4.635 0.279 1.00 0.00 C ATOM 1167 CG ASN A 87 15.902 6.103 0.017 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.984 6.875 -0.310 1.00 0.00 O ATOM 1169 ND2 ASN A 87 17.143 6.510 0.146 1.00 0.00 N ATOM 0 H ASN A 87 17.298 4.166 2.082 1.00 0.00 H new ATOM 0 HA ASN A 87 14.624 5.122 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.498 4.053 -0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.804 4.312 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.379 7.488 -0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.871 5.849 0.416 1.00 0.00 H new ATOM 1176 N PHE A 88 15.262 1.925 1.831 1.00 0.00 N ATOM 1177 CA PHE A 88 14.670 0.599 1.827 1.00 0.00 C ATOM 1178 C PHE A 88 14.020 0.358 3.126 1.00 0.00 C ATOM 1179 O PHE A 88 12.865 0.004 3.172 1.00 0.00 O ATOM 1180 CB PHE A 88 15.687 -0.514 1.565 1.00 0.00 C ATOM 1181 CG PHE A 88 16.605 -0.251 0.431 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.190 0.453 -0.687 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.902 -0.675 0.500 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.063 0.734 -1.698 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.769 -0.409 -0.510 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.355 0.299 -1.603 1.00 0.00 C ATOM 0 H PHE A 88 16.282 1.932 1.855 1.00 0.00 H new ATOM 0 HA PHE A 88 13.948 0.574 1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.279 -0.668 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.150 -1.443 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.164 0.783 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.240 -1.226 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.737 1.293 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.789 -0.758 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.054 0.516 -2.397 1.00 0.00 H new ATOM 1196 N GLU A 89 14.739 0.634 4.193 1.00 0.00 N ATOM 1197 CA GLU A 89 14.220 0.450 5.496 1.00 0.00 C ATOM 1198 C GLU A 89 13.114 1.431 5.736 1.00 0.00 C ATOM 1199 O GLU A 89 12.143 1.120 6.449 1.00 0.00 O ATOM 1200 CB GLU A 89 15.313 0.415 6.583 1.00 0.00 C ATOM 1201 CG GLU A 89 16.240 1.603 6.621 1.00 0.00 C ATOM 1202 CD GLU A 89 17.506 1.307 7.385 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.402 0.611 6.841 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.646 1.775 8.541 1.00 0.00 O ATOM 0 H GLU A 89 15.694 0.990 4.163 1.00 0.00 H new ATOM 0 HA GLU A 89 13.780 -0.545 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.829 0.325 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.912 -0.485 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.492 1.899 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.728 2.448 7.081 1.00 0.00 H new ATOM 1211 N ALA A 90 13.211 2.616 5.091 1.00 0.00 N ATOM 1212 CA ALA A 90 12.121 3.582 5.248 1.00 0.00 C ATOM 1213 C ALA A 90 10.868 3.044 4.588 1.00 0.00 C ATOM 1214 O ALA A 90 9.793 3.049 5.173 1.00 0.00 O ATOM 1215 CB ALA A 90 12.445 4.950 4.660 1.00 0.00 C ATOM 0 H ALA A 90 13.985 2.907 4.494 1.00 0.00 H new ATOM 0 HA ALA A 90 11.971 3.717 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.598 5.620 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.324 5.361 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.645 4.849 3.593 1.00 0.00 H new ATOM 1221 N ALA A 91 11.033 2.518 3.402 1.00 0.00 N ATOM 1222 CA ALA A 91 9.940 2.008 2.614 1.00 0.00 C ATOM 1223 C ALA A 91 9.387 0.718 3.174 1.00 0.00 C ATOM 1224 O ALA A 91 8.209 0.466 3.075 1.00 0.00 O ATOM 1225 CB ALA A 91 10.363 1.825 1.184 1.00 0.00 C ATOM 0 H ALA A 91 11.943 2.430 2.950 1.00 0.00 H new ATOM 0 HA ALA A 91 9.139 2.746 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.525 1.439 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.679 2.784 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.192 1.119 1.137 1.00 0.00 H new ATOM 1231 N LEU A 92 10.225 -0.095 3.758 1.00 0.00 N ATOM 1232 CA LEU A 92 9.761 -1.335 4.344 1.00 0.00 C ATOM 1233 C LEU A 92 8.854 -1.039 5.519 1.00 0.00 C ATOM 1234 O LEU A 92 7.792 -1.647 5.653 1.00 0.00 O ATOM 1235 CB LEU A 92 10.921 -2.250 4.764 1.00 0.00 C ATOM 1236 CG LEU A 92 11.875 -2.724 3.660 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.015 -3.525 4.255 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.147 -3.544 2.613 1.00 0.00 C ATOM 0 H LEU A 92 11.228 0.072 3.843 1.00 0.00 H new ATOM 0 HA LEU A 92 9.198 -1.874 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.509 -1.726 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.498 -3.131 5.247 1.00 0.00 H new ATOM 0 HG LEU A 92 12.281 -1.840 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.683 -3.854 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.568 -2.903 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.615 -4.395 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.852 -3.864 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.700 -4.420 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.364 -2.939 2.156 1.00 0.00 H new ATOM 1250 N ALA A 93 9.239 -0.056 6.319 1.00 0.00 N ATOM 1251 CA ALA A 93 8.460 0.333 7.473 1.00 0.00 C ATOM 1252 C ALA A 93 7.224 1.088 7.047 1.00 0.00 C ATOM 1253 O ALA A 93 6.127 0.861 7.583 1.00 0.00 O ATOM 1254 CB ALA A 93 9.293 1.145 8.449 1.00 0.00 C ATOM 0 H ALA A 93 10.092 0.487 6.184 1.00 0.00 H new ATOM 0 HA ALA A 93 8.142 -0.572 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.680 1.423 9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.141 0.549 8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.656 2.046 7.955 1.00 0.00 H new ATOM 1260 N THR A 94 7.388 1.951 6.059 1.00 0.00 N ATOM 1261 CA THR A 94 6.292 2.728 5.554 1.00 0.00 C ATOM 1262 C THR A 94 5.270 1.816 4.882 1.00 0.00 C ATOM 1263 O THR A 94 4.064 1.926 5.117 1.00 0.00 O ATOM 1264 CB THR A 94 6.770 3.858 4.610 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.727 4.673 5.319 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.608 4.740 4.164 1.00 0.00 C ATOM 0 H THR A 94 8.279 2.125 5.595 1.00 0.00 H new ATOM 0 HA THR A 94 5.807 3.221 6.396 1.00 0.00 H new ATOM 0 HB THR A 94 7.216 3.406 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.635 4.399 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.979 5.523 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.874 4.134 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.140 5.194 5.037 1.00 0.00 H new ATOM 1274 N GLY A 95 5.774 0.856 4.128 1.00 0.00 N ATOM 1275 CA GLY A 95 4.932 -0.078 3.457 1.00 0.00 C ATOM 1276 C GLY A 95 4.225 -0.956 4.435 1.00 0.00 C ATOM 1277 O GLY A 95 3.079 -1.260 4.263 1.00 0.00 O ATOM 0 H GLY A 95 6.772 0.714 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.203 0.456 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.528 -0.689 2.778 1.00 0.00 H new ATOM 1281 N ASP A 96 4.919 -1.314 5.490 1.00 0.00 N ATOM 1282 CA ASP A 96 4.375 -2.157 6.544 1.00 0.00 C ATOM 1283 C ASP A 96 3.181 -1.514 7.236 1.00 0.00 C ATOM 1284 O ASP A 96 2.138 -2.137 7.375 1.00 0.00 O ATOM 1285 CB ASP A 96 5.467 -2.513 7.559 1.00 0.00 C ATOM 1286 CG ASP A 96 4.945 -3.210 8.788 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.649 -4.420 8.730 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.819 -2.558 9.839 1.00 0.00 O ATOM 0 H ASP A 96 5.886 -1.029 5.648 1.00 0.00 H new ATOM 0 HA ASP A 96 4.015 -3.074 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.206 -3.152 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.982 -1.601 7.860 1.00 0.00 H new ATOM 1293 N LEU A 97 3.313 -0.259 7.607 1.00 0.00 N ATOM 1294 CA LEU A 97 2.252 0.426 8.337 1.00 0.00 C ATOM 1295 C LEU A 97 1.015 0.592 7.474 1.00 0.00 C ATOM 1296 O LEU A 97 -0.093 0.314 7.921 1.00 0.00 O ATOM 1297 CB LEU A 97 2.735 1.778 8.889 1.00 0.00 C ATOM 1298 CG LEU A 97 3.057 2.871 7.868 1.00 0.00 C ATOM 1299 CD1 LEU A 97 1.897 3.828 7.652 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.285 3.597 8.246 1.00 0.00 C ATOM 0 H LEU A 97 4.138 0.311 7.420 1.00 0.00 H new ATOM 0 HA LEU A 97 1.981 -0.197 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.970 2.161 9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.628 1.600 9.487 1.00 0.00 H new ATOM 0 HG LEU A 97 3.230 2.373 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.180 4.583 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.032 3.274 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.646 4.314 8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.494 4.369 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.148 4.059 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.122 2.899 8.289 1.00 0.00 H new ATOM 1312 N LEU A 98 1.207 1.017 6.228 1.00 0.00 N ATOM 1313 CA LEU A 98 0.091 1.220 5.336 1.00 0.00 C ATOM 1314 C LEU A 98 -0.495 -0.104 4.929 1.00 0.00 C ATOM 1315 O LEU A 98 -1.663 -0.185 4.613 1.00 0.00 O ATOM 1316 CB LEU A 98 0.474 2.079 4.114 1.00 0.00 C ATOM 1317 CG LEU A 98 1.486 1.466 3.147 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.827 0.557 2.106 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.365 2.517 2.496 1.00 0.00 C ATOM 0 H LEU A 98 2.121 1.223 5.824 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.673 1.781 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.435 2.308 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.875 3.027 4.474 1.00 0.00 H new ATOM 0 HG LEU A 98 2.136 0.832 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.591 0.148 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.309 -0.259 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.111 1.134 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.068 2.034 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.743 3.216 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.916 3.057 3.265 1.00 0.00 H new ATOM 1331 N LEU A 99 0.336 -1.152 4.921 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.125 -2.452 4.531 1.00 0.00 C ATOM 1333 C LEU A 99 -1.063 -2.948 5.615 1.00 0.00 C ATOM 1334 O LEU A 99 -2.109 -3.537 5.348 1.00 0.00 O ATOM 1335 CB LEU A 99 1.050 -3.422 4.260 1.00 0.00 C ATOM 1336 CG LEU A 99 0.797 -4.657 3.356 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.119 -5.305 3.006 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.109 -5.688 4.023 1.00 0.00 C ATOM 0 H LEU A 99 1.321 -1.108 5.181 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.664 -2.397 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.860 -2.845 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.410 -3.784 5.223 1.00 0.00 H new ATOM 0 HG LEU A 99 0.292 -4.306 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.942 -6.173 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.746 -4.589 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.623 -5.621 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.256 -6.533 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.354 -6.036 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.073 -5.233 4.249 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.698 -2.623 6.845 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.512 -2.890 7.994 1.00 0.00 C ATOM 1352 C LYS A 100 -2.778 -2.086 7.895 1.00 0.00 C ATOM 1353 O LYS A 100 -3.840 -2.545 8.315 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.767 -2.592 9.310 1.00 0.00 C ATOM 1355 CG LYS A 100 -0.006 -3.779 9.923 1.00 0.00 C ATOM 1356 CD LYS A 100 0.913 -4.476 8.935 1.00 0.00 C ATOM 1357 CE LYS A 100 1.720 -5.569 9.604 1.00 0.00 C ATOM 1358 NZ LYS A 100 2.743 -5.030 10.522 1.00 0.00 N ATOM 0 H LYS A 100 0.185 -2.161 7.064 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.755 -3.952 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.059 -1.782 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.489 -2.229 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.583 -3.426 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.724 -4.501 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.322 -4.903 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.588 -3.747 8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.049 -6.226 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.205 -6.178 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.751 -5.589 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.678 -5.082 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.521 -4.039 10.745 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.676 -0.892 7.300 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.858 -0.068 7.116 1.00 0.00 C ATOM 1374 C ASP A 101 -4.784 -0.651 6.075 1.00 0.00 C ATOM 1375 O ASP A 101 -5.989 -0.712 6.294 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.552 1.393 6.797 1.00 0.00 C ATOM 1377 CG ASP A 101 -3.550 2.276 8.010 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.636 2.752 8.401 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -2.489 2.534 8.595 1.00 0.00 O ATOM 0 H ASP A 101 -1.807 -0.489 6.948 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.361 -0.073 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.579 1.455 6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.290 1.765 6.086 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.210 -1.099 4.956 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.953 -1.754 3.867 1.00 0.00 C ATOM 1386 C LEU A 102 -5.710 -2.945 4.416 1.00 0.00 C ATOM 1387 O LEU A 102 -6.900 -3.113 4.173 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.986 -2.234 2.759 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.208 -1.154 1.988 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.176 -1.798 1.083 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.153 -0.311 1.147 1.00 0.00 C ATOM 0 H LEU A 102 -3.209 -1.019 4.775 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.650 -1.033 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.263 -2.912 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.560 -2.816 2.038 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.708 -0.513 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.632 -1.023 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.477 -2.380 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.676 -2.454 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.584 0.447 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.672 -0.950 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.882 0.175 1.796 1.00 0.00 H new ATOM 1403 N LYS A 103 -5.008 -3.730 5.191 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.524 -4.906 5.823 1.00 0.00 C ATOM 1405 C LYS A 103 -6.652 -4.562 6.809 1.00 0.00 C ATOM 1406 O LYS A 103 -7.735 -5.148 6.749 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.357 -5.556 6.532 1.00 0.00 C ATOM 1408 CG LYS A 103 -4.617 -6.859 7.220 1.00 0.00 C ATOM 1409 CD LYS A 103 -3.321 -7.323 7.839 1.00 0.00 C ATOM 1410 CE LYS A 103 -3.445 -8.688 8.486 1.00 0.00 C ATOM 1411 NZ LYS A 103 -3.831 -9.731 7.514 1.00 0.00 N ATOM 0 H LYS A 103 -4.026 -3.557 5.404 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.962 -5.582 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.562 -5.711 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.977 -4.852 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.384 -6.740 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.987 -7.598 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.547 -7.356 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.998 -6.598 8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.495 -8.957 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.186 -8.644 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.692 -10.670 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.832 -9.612 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.242 -9.646 6.661 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.416 -3.586 7.671 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.377 -3.220 8.697 1.00 0.00 C ATOM 1427 C ALA A 104 -8.617 -2.632 8.077 1.00 0.00 C ATOM 1428 O ALA A 104 -9.747 -2.934 8.506 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.768 -2.247 9.697 1.00 0.00 C ATOM 0 H ALA A 104 -5.561 -3.030 7.679 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.655 -4.127 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.510 -1.991 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.906 -2.710 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.451 -1.342 9.178 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.424 -1.837 7.037 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.520 -1.210 6.385 1.00 0.00 C ATOM 1437 C LEU A 105 -10.299 -2.253 5.633 1.00 0.00 C ATOM 1438 O LEU A 105 -11.479 -2.161 5.547 1.00 0.00 O ATOM 1439 CB LEU A 105 -9.111 -0.007 5.495 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.762 -0.282 4.031 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.979 -0.092 3.133 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.611 0.574 3.568 1.00 0.00 C ATOM 0 H LEU A 105 -7.510 -1.622 6.639 1.00 0.00 H new ATOM 0 HA LEU A 105 -10.160 -0.765 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.928 0.715 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.250 0.474 5.959 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.448 -1.323 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.703 -0.294 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.768 -0.780 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.338 0.933 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.390 0.353 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.877 1.626 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.732 0.363 4.178 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.606 -3.268 5.099 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.254 -4.349 4.372 1.00 0.00 C ATOM 1456 C GLN A 106 -11.244 -5.052 5.260 1.00 0.00 C ATOM 1457 O GLN A 106 -12.369 -5.297 4.850 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.212 -5.312 3.773 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.787 -6.476 2.988 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.716 -7.367 2.368 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -7.606 -7.515 2.898 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -9.025 -7.954 1.244 1.00 0.00 N ATOM 0 H GLN A 106 -8.592 -3.356 5.162 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.809 -3.930 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.550 -4.745 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.598 -5.708 4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.414 -7.077 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.432 -6.091 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.947 -7.813 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.344 -8.554 0.778 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.860 -5.313 6.487 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.793 -5.894 7.420 1.00 0.00 C ATOM 1473 C LYS A 107 -12.910 -4.931 7.790 1.00 0.00 C ATOM 1474 O LYS A 107 -14.000 -5.361 8.013 1.00 0.00 O ATOM 1475 CB LYS A 107 -11.142 -6.526 8.658 1.00 0.00 C ATOM 1476 CG LYS A 107 -10.699 -7.985 8.468 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.483 -8.162 7.570 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.201 -7.701 8.250 1.00 0.00 C ATOM 1479 NZ LYS A 107 -7.941 -8.416 9.517 1.00 0.00 N ATOM 0 H LYS A 107 -9.926 -5.136 6.857 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.243 -6.728 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.275 -5.930 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.847 -6.478 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.479 -8.415 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.530 -8.553 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.388 -9.211 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.628 -7.598 6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.360 -7.852 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.263 -6.631 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.934 -8.330 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.520 -8.001 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.185 -9.421 9.405 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.615 -3.630 7.834 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.607 -2.587 8.155 1.00 0.00 C ATOM 1495 C ARG A 108 -14.623 -2.465 7.019 1.00 0.00 C ATOM 1496 O ARG A 108 -15.825 -2.334 7.231 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.919 -1.235 8.393 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.866 -0.115 8.822 1.00 0.00 C ATOM 1499 CD ARG A 108 -13.123 1.202 9.001 1.00 0.00 C ATOM 1500 NE ARG A 108 -12.587 1.729 7.733 1.00 0.00 N ATOM 1501 CZ ARG A 108 -11.411 2.367 7.599 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.633 2.573 8.661 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -11.033 2.818 6.406 1.00 0.00 N ATOM 0 H ARG A 108 -11.681 -3.264 7.649 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.125 -2.874 9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.153 -1.360 9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.409 -0.934 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.650 0.007 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.356 -0.388 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.797 1.938 9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.304 1.060 9.706 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.151 1.600 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.929 2.246 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.742 3.057 8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.635 2.680 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.141 3.302 6.303 1.00 0.00 H new ATOM 1517 N VAL A 109 -14.120 -2.509 5.809 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.948 -2.453 4.630 1.00 0.00 C ATOM 1519 C VAL A 109 -15.808 -3.699 4.550 1.00 0.00 C ATOM 1520 O VAL A 109 -17.019 -3.630 4.295 1.00 0.00 O ATOM 1521 CB VAL A 109 -14.094 -2.313 3.367 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.941 -2.387 2.116 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.346 -1.010 3.394 1.00 0.00 C ATOM 0 H VAL A 109 -13.122 -2.585 5.614 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.592 -1.576 4.698 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.387 -3.142 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.303 -2.284 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.455 -3.348 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.676 -1.583 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.741 -0.919 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.056 -0.184 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.698 -0.981 4.270 1.00 0.00 H new ATOM 1533 N GLN A 110 -15.175 -4.826 4.801 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.860 -6.100 4.882 1.00 0.00 C ATOM 1535 C GLN A 110 -16.883 -6.053 6.022 1.00 0.00 C ATOM 1536 O GLN A 110 -17.953 -6.636 5.938 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.819 -7.205 5.112 1.00 0.00 C ATOM 1538 CG GLN A 110 -15.329 -8.608 5.464 1.00 0.00 C ATOM 1539 CD GLN A 110 -16.082 -9.373 4.365 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -15.983 -10.591 4.304 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -16.879 -8.714 3.561 1.00 0.00 N ATOM 0 H GLN A 110 -14.168 -4.885 4.955 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.394 -6.311 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.212 -7.286 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.156 -6.879 5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.475 -9.211 5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.987 -8.522 6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.946 -7.699 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.432 -9.216 2.867 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.538 -5.310 7.045 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.325 -5.180 8.253 1.00 0.00 C ATOM 1552 C ASP A 111 -18.600 -4.395 8.014 1.00 0.00 C ATOM 1553 O ASP A 111 -19.626 -4.700 8.604 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.503 -4.502 9.353 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.158 -4.457 10.706 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -18.009 -3.596 10.951 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -16.765 -5.239 11.585 1.00 0.00 O ATOM 0 H ASP A 111 -15.678 -4.762 7.063 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.602 -6.186 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.550 -5.023 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.280 -3.482 9.041 1.00 0.00 H new ATOM 1562 N SER A 112 -18.561 -3.406 7.118 1.00 0.00 N ATOM 1563 CA SER A 112 -19.720 -2.592 6.904 1.00 0.00 C ATOM 1564 C SER A 112 -20.643 -3.284 5.936 1.00 0.00 C ATOM 1565 O SER A 112 -21.839 -3.060 5.948 1.00 0.00 O ATOM 1566 CB SER A 112 -19.317 -1.195 6.439 1.00 0.00 C ATOM 1567 OG SER A 112 -18.398 -1.264 5.360 1.00 0.00 O ATOM 0 H SER A 112 -17.749 -3.166 6.548 1.00 0.00 H new ATOM 0 HA SER A 112 -20.261 -2.460 7.841 1.00 0.00 H new ATOM 0 HB2 SER A 112 -20.203 -0.640 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 112 -18.870 -0.647 7.268 1.00 0.00 H new ATOM 0 HG SER A 112 -18.155 -0.357 5.078 1.00 0.00 H new