USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 58 ASN : amide:sc= -3.12! C(o=-2.6!,f=-4.2!) USER MOD Set 1.2: A 60 TYR OH : rot -43:sc= 0.486 USER MOD Set 2.1: A 50 SER OG : rot -170:sc= 0.023 USER MOD Set 2.2: A 54 ASN : amide:sc= -3.87! K(o=-3.8!,f=-1.1) USER MOD Set 3.1: A 32 HIS : no HD1:sc= -12.3! C(o=-17!,f=-15!) USER MOD Set 3.2: A 36 HIS : no HE2:sc= -4.19! C(o=-17!,f=-15!) USER MOD Set 4.1: A 6 TYR OH : rot 165:sc= 0.223 USER MOD Set 4.2: A 14 GLN : amide:sc= -4.09! C(o=-3.9!,f=-5.5!) USER MOD Set 5.1: A 8 TYR OH : rot 165:sc= 0 USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -4.94 K(o=-4.9,f=-2.1!) USER MOD Single : A 17 SER OG : rot 99:sc= -1.58! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.00456 X(o=0.0046,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -78:sc= 0.48 USER MOD Single : A 34 THR OG1 : rot -67:sc= -0.594 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 85:sc= 0.0373! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -9.77! C(o=-9.8!,f=-12!) USER MOD Single : A 49 ASN : amide:sc= -0.0377 K(o=-0.038,f=-1.4!) USER MOD Single : A 53 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.12) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -60:sc= -3.95! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.994 2.763 -6.711 1.00 0.00 N ATOM 80 CA TYR A 6 8.620 2.215 -6.880 1.00 0.00 C ATOM 81 C TYR A 6 7.788 3.112 -7.784 1.00 0.00 C ATOM 82 O TYR A 6 7.294 4.148 -7.388 1.00 0.00 O ATOM 83 CB TYR A 6 7.965 2.070 -5.513 1.00 0.00 C ATOM 84 CG TYR A 6 8.609 0.913 -4.779 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.764 0.294 -5.293 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.056 0.465 -3.580 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.355 -0.768 -4.598 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.647 -0.597 -2.887 1.00 0.00 C ATOM 89 CZ TYR A 6 9.798 -1.212 -3.396 1.00 0.00 C ATOM 90 OH TYR A 6 10.382 -2.257 -2.710 1.00 0.00 O ATOM 0 HA TYR A 6 8.682 1.235 -7.354 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.081 2.990 -4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.895 1.896 -5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.194 0.638 -6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.169 0.939 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.241 -1.244 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.216 -0.943 -1.959 1.00 0.00 H new ATOM 0 HH TYR A 6 10.029 -2.287 -1.796 1.00 0.00 H new ATOM 100 N SER A 7 7.632 2.694 -9.003 1.00 0.00 N ATOM 101 CA SER A 7 6.832 3.473 -9.981 1.00 0.00 C ATOM 102 C SER A 7 5.414 3.672 -9.442 1.00 0.00 C ATOM 103 O SER A 7 5.100 3.281 -8.333 1.00 0.00 O ATOM 104 CB SER A 7 6.768 2.688 -11.287 1.00 0.00 C ATOM 105 OG SER A 7 7.896 3.013 -12.088 1.00 0.00 O ATOM 0 H SER A 7 8.032 1.830 -9.370 1.00 0.00 H new ATOM 0 HA SER A 7 7.292 4.447 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.751 1.618 -11.081 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.848 2.924 -11.822 1.00 0.00 H new ATOM 0 HG SER A 7 7.858 2.508 -12.927 1.00 0.00 H new ATOM 111 N TYR A 8 4.552 4.267 -10.218 1.00 0.00 N ATOM 112 CA TYR A 8 3.153 4.478 -9.753 1.00 0.00 C ATOM 113 C TYR A 8 2.252 3.403 -10.364 1.00 0.00 C ATOM 114 O TYR A 8 1.340 3.685 -11.116 1.00 0.00 O ATOM 115 CB TYR A 8 2.680 5.865 -10.181 1.00 0.00 C ATOM 116 CG TYR A 8 3.368 6.905 -9.329 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.764 7.006 -9.340 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.611 7.764 -8.527 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.402 7.967 -8.550 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.249 8.728 -7.737 1.00 0.00 C ATOM 121 CZ TYR A 8 4.645 8.830 -7.749 1.00 0.00 C ATOM 122 OH TYR A 8 5.274 9.781 -6.972 1.00 0.00 O ATOM 0 H TYR A 8 4.756 4.616 -11.154 1.00 0.00 H new ATOM 0 HA TYR A 8 3.108 4.408 -8.666 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.907 6.031 -11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.598 5.944 -10.071 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.348 6.341 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.534 7.684 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.479 8.044 -8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.664 9.393 -7.119 1.00 0.00 H new ATOM 0 HH TYR A 8 4.618 10.443 -6.670 1.00 0.00 H new ATOM 132 N ALA A 9 2.513 2.170 -10.037 1.00 0.00 N ATOM 133 CA ALA A 9 1.698 1.043 -10.577 1.00 0.00 C ATOM 134 C ALA A 9 2.150 -0.242 -9.887 1.00 0.00 C ATOM 135 O ALA A 9 1.357 -1.084 -9.520 1.00 0.00 O ATOM 136 CB ALA A 9 1.922 0.922 -12.085 1.00 0.00 C ATOM 0 H ALA A 9 3.267 1.889 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 9 0.638 1.220 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.325 0.098 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.623 1.850 -12.573 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.977 0.732 -12.282 1.00 0.00 H new ATOM 142 N GLN A 10 3.430 -0.363 -9.675 1.00 0.00 N ATOM 143 CA GLN A 10 3.988 -1.547 -8.970 1.00 0.00 C ATOM 144 C GLN A 10 4.024 -1.192 -7.494 1.00 0.00 C ATOM 145 O GLN A 10 3.952 -2.035 -6.622 1.00 0.00 O ATOM 146 CB GLN A 10 5.407 -1.817 -9.472 1.00 0.00 C ATOM 147 CG GLN A 10 6.096 -2.808 -8.536 1.00 0.00 C ATOM 148 CD GLN A 10 7.196 -2.094 -7.748 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.199 -2.687 -7.407 1.00 0.00 O ATOM 150 NE2 GLN A 10 7.048 -0.834 -7.440 1.00 0.00 N ATOM 0 H GLN A 10 4.126 0.323 -9.967 1.00 0.00 H new ATOM 0 HA GLN A 10 3.386 -2.438 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.376 -2.218 -10.485 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.973 -0.886 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.368 -3.242 -7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.522 -3.630 -9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.206 -0.335 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.775 -0.349 -6.913 1.00 0.00 H new ATOM 159 N LEU A 11 4.106 0.081 -7.225 1.00 0.00 N ATOM 160 CA LEU A 11 4.116 0.565 -5.830 1.00 0.00 C ATOM 161 C LEU A 11 2.888 -0.009 -5.125 1.00 0.00 C ATOM 162 O LEU A 11 2.905 -0.306 -3.948 1.00 0.00 O ATOM 163 CB LEU A 11 4.028 2.087 -5.872 1.00 0.00 C ATOM 164 CG LEU A 11 3.927 2.644 -4.462 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.326 2.973 -3.963 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.085 3.916 -4.488 1.00 0.00 C ATOM 0 H LEU A 11 4.167 0.814 -7.931 1.00 0.00 H new ATOM 0 HA LEU A 11 5.018 0.259 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.907 2.496 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.159 2.393 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 11 3.462 1.912 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.266 3.374 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.933 2.068 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.782 3.713 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.008 4.322 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.557 4.651 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.088 3.685 -4.863 1.00 0.00 H new ATOM 178 N ILE A 12 1.827 -0.177 -5.865 1.00 0.00 N ATOM 179 CA ILE A 12 0.568 -0.750 -5.282 1.00 0.00 C ATOM 180 C ILE A 12 0.648 -2.266 -5.288 1.00 0.00 C ATOM 181 O ILE A 12 0.312 -2.914 -4.330 1.00 0.00 O ATOM 182 CB ILE A 12 -0.635 -0.369 -6.132 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.483 1.077 -6.655 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.893 -0.536 -5.284 1.00 0.00 C ATOM 185 CD1 ILE A 12 -1.749 1.910 -6.404 1.00 0.00 C ATOM 0 H ILE A 12 1.772 0.058 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 12 0.461 -0.360 -4.270 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.708 -1.017 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.368 1.553 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.267 1.056 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.769 -0.268 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.978 -1.573 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.832 0.113 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.602 2.920 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.595 1.449 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.950 1.953 -5.334 1.00 0.00 H new ATOM 197 N VAL A 13 1.049 -2.831 -6.381 1.00 0.00 N ATOM 198 CA VAL A 13 1.107 -4.312 -6.478 1.00 0.00 C ATOM 199 C VAL A 13 1.843 -4.904 -5.280 1.00 0.00 C ATOM 200 O VAL A 13 1.328 -5.765 -4.598 1.00 0.00 O ATOM 201 CB VAL A 13 1.842 -4.689 -7.756 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.872 -6.206 -7.882 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.110 -4.079 -8.953 1.00 0.00 C ATOM 0 H VAL A 13 1.342 -2.330 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 13 0.092 -4.708 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 13 2.863 -4.309 -7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.397 -6.485 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.388 -6.632 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.852 -6.588 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.631 -4.345 -9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.090 -4.463 -8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.086 -2.994 -8.851 1.00 0.00 H new ATOM 213 N GLN A 14 3.033 -4.468 -5.008 1.00 0.00 N ATOM 214 CA GLN A 14 3.763 -5.033 -3.844 1.00 0.00 C ATOM 215 C GLN A 14 3.054 -4.608 -2.561 1.00 0.00 C ATOM 216 O GLN A 14 3.186 -5.229 -1.526 1.00 0.00 O ATOM 217 CB GLN A 14 5.191 -4.506 -3.825 1.00 0.00 C ATOM 218 CG GLN A 14 5.980 -5.232 -2.736 1.00 0.00 C ATOM 219 CD GLN A 14 7.370 -4.617 -2.629 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.339 -5.309 -2.388 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.510 -3.334 -2.798 1.00 0.00 N ATOM 0 H GLN A 14 3.531 -3.751 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 14 3.782 -6.120 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.661 -4.661 -4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.193 -3.432 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.461 -5.154 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.056 -6.293 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.695 -2.754 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.434 -2.908 -2.728 1.00 0.00 H new ATOM 230 N ALA A 15 2.306 -3.548 -2.620 1.00 0.00 N ATOM 231 CA ALA A 15 1.590 -3.071 -1.409 1.00 0.00 C ATOM 232 C ALA A 15 0.480 -4.057 -1.037 1.00 0.00 C ATOM 233 O ALA A 15 0.335 -4.440 0.104 1.00 0.00 O ATOM 234 CB ALA A 15 0.971 -1.705 -1.703 1.00 0.00 C ATOM 0 H ALA A 15 2.158 -2.987 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 15 2.293 -2.993 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.443 -1.347 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.758 -0.998 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.270 -1.794 -2.533 1.00 0.00 H new ATOM 240 N ILE A 16 -0.310 -4.458 -1.992 1.00 0.00 N ATOM 241 CA ILE A 16 -1.427 -5.406 -1.698 1.00 0.00 C ATOM 242 C ILE A 16 -0.936 -6.855 -1.782 1.00 0.00 C ATOM 243 O ILE A 16 -1.077 -7.623 -0.852 1.00 0.00 O ATOM 244 CB ILE A 16 -2.588 -5.207 -2.691 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.248 -4.131 -3.733 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.823 -4.761 -1.920 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.530 -3.647 -4.424 1.00 0.00 C ATOM 0 H ILE A 16 -0.233 -4.171 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.781 -5.201 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.767 -6.150 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.746 -3.292 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.556 -4.535 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.652 -4.617 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.090 -5.523 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.612 -3.823 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.280 -2.884 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.015 -4.487 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.207 -3.225 -3.681 1.00 0.00 H new ATOM 259 N SER A 17 -0.389 -7.240 -2.900 1.00 0.00 N ATOM 260 CA SER A 17 0.085 -8.645 -3.069 1.00 0.00 C ATOM 261 C SER A 17 1.157 -9.000 -2.032 1.00 0.00 C ATOM 262 O SER A 17 1.234 -10.123 -1.575 1.00 0.00 O ATOM 263 CB SER A 17 0.673 -8.810 -4.471 1.00 0.00 C ATOM 264 OG SER A 17 0.152 -7.796 -5.321 1.00 0.00 O ATOM 0 H SER A 17 -0.248 -6.638 -3.711 1.00 0.00 H new ATOM 0 HA SER A 17 -0.765 -9.313 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.760 -8.745 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.427 -9.795 -4.868 1.00 0.00 H new ATOM 0 HG SER A 17 0.803 -7.067 -5.398 1.00 0.00 H new ATOM 270 N SER A 18 2.001 -8.072 -1.669 1.00 0.00 N ATOM 271 CA SER A 18 3.072 -8.398 -0.680 1.00 0.00 C ATOM 272 C SER A 18 2.536 -8.289 0.750 1.00 0.00 C ATOM 273 O SER A 18 3.227 -8.600 1.701 1.00 0.00 O ATOM 274 CB SER A 18 4.246 -7.437 -0.860 1.00 0.00 C ATOM 275 OG SER A 18 5.457 -8.114 -0.550 1.00 0.00 O ATOM 0 H SER A 18 1.997 -7.111 -2.010 1.00 0.00 H new ATOM 0 HA SER A 18 3.405 -9.422 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.275 -7.067 -1.885 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.124 -6.570 -0.211 1.00 0.00 H new ATOM 0 HG SER A 18 6.213 -7.501 -0.666 1.00 0.00 H new ATOM 281 N ALA A 19 1.316 -7.859 0.924 1.00 0.00 N ATOM 282 CA ALA A 19 0.768 -7.752 2.308 1.00 0.00 C ATOM 283 C ALA A 19 -0.023 -9.017 2.632 1.00 0.00 C ATOM 284 O ALA A 19 -0.545 -9.668 1.748 1.00 0.00 O ATOM 285 CB ALA A 19 -0.157 -6.538 2.404 1.00 0.00 C ATOM 0 H ALA A 19 0.680 -7.580 0.177 1.00 0.00 H new ATOM 0 HA ALA A 19 1.588 -7.636 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.555 -6.463 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.404 -5.634 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.980 -6.651 1.698 1.00 0.00 H new ATOM 291 N GLN A 20 -0.127 -9.372 3.888 1.00 0.00 N ATOM 292 CA GLN A 20 -0.899 -10.596 4.245 1.00 0.00 C ATOM 293 C GLN A 20 -2.196 -10.592 3.441 1.00 0.00 C ATOM 294 O GLN A 20 -2.537 -11.553 2.781 1.00 0.00 O ATOM 295 CB GLN A 20 -1.223 -10.591 5.741 1.00 0.00 C ATOM 296 CG GLN A 20 -1.912 -11.906 6.115 1.00 0.00 C ATOM 297 CD GLN A 20 -2.656 -11.738 7.441 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.109 -11.992 8.495 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.891 -11.315 7.434 1.00 0.00 N ATOM 0 H GLN A 20 0.286 -8.871 4.674 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.313 -11.487 4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.309 -10.468 6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.870 -9.747 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.609 -12.199 5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.174 -12.704 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.352 -11.101 6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.395 -11.198 8.313 1.00 0.00 H new ATOM 308 N ASP A 21 -2.908 -9.500 3.473 1.00 0.00 N ATOM 309 CA ASP A 21 -4.166 -9.409 2.691 1.00 0.00 C ATOM 310 C ASP A 21 -3.841 -8.839 1.305 1.00 0.00 C ATOM 311 O ASP A 21 -3.284 -7.765 1.185 1.00 0.00 O ATOM 312 CB ASP A 21 -5.153 -8.486 3.409 1.00 0.00 C ATOM 313 CG ASP A 21 -6.182 -9.329 4.165 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.772 -10.234 4.873 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.363 -9.055 4.024 1.00 0.00 O ATOM 0 H ASP A 21 -2.670 -8.666 4.009 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.615 -10.397 2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.620 -7.835 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.655 -7.841 2.688 1.00 0.00 H new ATOM 320 N ARG A 22 -4.178 -9.542 0.256 1.00 0.00 N ATOM 321 CA ARG A 22 -3.880 -9.032 -1.114 1.00 0.00 C ATOM 322 C ARG A 22 -4.726 -7.788 -1.408 1.00 0.00 C ATOM 323 O ARG A 22 -4.600 -7.176 -2.454 1.00 0.00 O ATOM 324 CB ARG A 22 -4.207 -10.118 -2.141 1.00 0.00 C ATOM 325 CG ARG A 22 -5.691 -10.480 -2.044 1.00 0.00 C ATOM 326 CD ARG A 22 -6.092 -11.328 -3.253 1.00 0.00 C ATOM 327 NE ARG A 22 -7.116 -12.328 -2.842 1.00 0.00 N ATOM 328 CZ ARG A 22 -8.145 -11.957 -2.127 1.00 0.00 C ATOM 329 NH1 ARG A 22 -8.061 -11.940 -0.825 1.00 0.00 N ATOM 330 NH2 ARG A 22 -9.256 -11.606 -2.714 1.00 0.00 N ATOM 0 H ARG A 22 -4.647 -10.447 0.289 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.824 -8.769 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.972 -9.766 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.594 -11.001 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.882 -11.029 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.295 -9.574 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.488 -10.690 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.217 -11.834 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.014 -13.304 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.193 -12.216 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.864 -11.651 -0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.322 -11.621 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.059 -11.317 -2.155 1.00 0.00 H new ATOM 344 N GLN A 23 -5.593 -7.410 -0.508 1.00 0.00 N ATOM 345 CA GLN A 23 -6.442 -6.214 -0.759 1.00 0.00 C ATOM 346 C GLN A 23 -6.102 -5.106 0.239 1.00 0.00 C ATOM 347 O GLN A 23 -6.045 -5.324 1.433 1.00 0.00 O ATOM 348 CB GLN A 23 -7.914 -6.598 -0.610 1.00 0.00 C ATOM 349 CG GLN A 23 -8.089 -7.476 0.629 1.00 0.00 C ATOM 350 CD GLN A 23 -9.563 -7.849 0.790 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.378 -7.529 -0.053 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.941 -8.515 1.846 1.00 0.00 N ATOM 0 H GLN A 23 -5.749 -7.876 0.386 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.255 -5.850 -1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.528 -5.701 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.253 -7.132 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.483 -8.378 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.739 -6.946 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.256 -8.783 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.922 -8.768 1.965 1.00 0.00 H new ATOM 361 N LEU A 24 -5.882 -3.915 -0.249 1.00 0.00 N ATOM 362 CA LEU A 24 -5.550 -2.780 0.649 1.00 0.00 C ATOM 363 C LEU A 24 -6.579 -1.667 0.462 1.00 0.00 C ATOM 364 O LEU A 24 -7.189 -1.541 -0.582 1.00 0.00 O ATOM 365 CB LEU A 24 -4.172 -2.236 0.284 1.00 0.00 C ATOM 366 CG LEU A 24 -3.093 -3.201 0.770 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.715 -2.586 0.530 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.282 -3.458 2.265 1.00 0.00 C ATOM 0 H LEU A 24 -5.919 -3.681 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.556 -3.123 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.096 -2.104 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.026 -1.255 0.736 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.171 -4.141 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.944 -3.274 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.581 -2.398 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.635 -1.647 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.513 -4.147 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.202 -2.517 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.266 -3.894 2.438 1.00 0.00 H new ATOM 380 N THR A 25 -6.763 -0.841 1.453 1.00 0.00 N ATOM 381 CA THR A 25 -7.735 0.276 1.311 1.00 0.00 C ATOM 382 C THR A 25 -7.062 1.398 0.523 1.00 0.00 C ATOM 383 O THR A 25 -5.892 1.323 0.207 1.00 0.00 O ATOM 384 CB THR A 25 -8.140 0.788 2.697 1.00 0.00 C ATOM 385 OG1 THR A 25 -6.977 1.164 3.421 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.880 -0.316 3.453 1.00 0.00 C ATOM 0 H THR A 25 -6.284 -0.891 2.352 1.00 0.00 H new ATOM 0 HA THR A 25 -8.629 -0.066 0.789 1.00 0.00 H new ATOM 0 HB THR A 25 -8.795 1.653 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.235 1.493 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.168 0.048 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.773 -0.602 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.227 -1.182 3.563 1.00 0.00 H new ATOM 394 N LEU A 26 -7.777 2.435 0.196 1.00 0.00 N ATOM 395 CA LEU A 26 -7.147 3.542 -0.573 1.00 0.00 C ATOM 396 C LEU A 26 -5.971 4.108 0.228 1.00 0.00 C ATOM 397 O LEU A 26 -4.922 4.396 -0.311 1.00 0.00 O ATOM 398 CB LEU A 26 -8.176 4.647 -0.829 1.00 0.00 C ATOM 399 CG LEU A 26 -7.793 5.414 -2.094 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.025 6.133 -2.645 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.709 6.440 -1.759 1.00 0.00 C ATOM 0 H LEU A 26 -8.762 2.565 0.425 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.788 3.162 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.170 4.215 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.217 5.326 0.023 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.414 4.718 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.753 6.681 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.797 5.401 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.404 6.830 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.435 6.988 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.087 7.138 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.831 5.927 -1.366 1.00 0.00 H new ATOM 413 N SER A 27 -6.140 4.273 1.513 1.00 0.00 N ATOM 414 CA SER A 27 -5.031 4.821 2.346 1.00 0.00 C ATOM 415 C SER A 27 -4.301 3.681 3.063 1.00 0.00 C ATOM 416 O SER A 27 -3.704 3.877 4.104 1.00 0.00 O ATOM 417 CB SER A 27 -5.606 5.784 3.383 1.00 0.00 C ATOM 418 OG SER A 27 -5.820 7.053 2.779 1.00 0.00 O ATOM 0 H SER A 27 -6.997 4.052 2.021 1.00 0.00 H new ATOM 0 HA SER A 27 -4.327 5.348 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.544 5.394 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.921 5.880 4.226 1.00 0.00 H new ATOM 0 HG SER A 27 -6.191 7.672 3.442 1.00 0.00 H new ATOM 424 N GLY A 28 -4.332 2.498 2.517 1.00 0.00 N ATOM 425 CA GLY A 28 -3.623 1.359 3.171 1.00 0.00 C ATOM 426 C GLY A 28 -2.310 1.139 2.437 1.00 0.00 C ATOM 427 O GLY A 28 -1.275 0.883 3.019 1.00 0.00 O ATOM 0 H GLY A 28 -4.816 2.269 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.439 1.578 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.235 0.458 3.135 1.00 0.00 H new ATOM 431 N ILE A 29 -2.373 1.246 1.148 1.00 0.00 N ATOM 432 CA ILE A 29 -1.181 1.062 0.292 1.00 0.00 C ATOM 433 C ILE A 29 -0.070 2.004 0.732 1.00 0.00 C ATOM 434 O ILE A 29 1.101 1.688 0.661 1.00 0.00 O ATOM 435 CB ILE A 29 -1.595 1.395 -1.128 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.462 1.053 -2.094 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.935 2.884 -1.224 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.660 1.832 -3.388 1.00 0.00 C ATOM 0 H ILE A 29 -3.229 1.460 0.636 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.811 0.039 0.365 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.474 0.808 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.501 1.303 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.451 -0.018 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.233 3.124 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.754 3.115 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.060 3.475 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.145 1.593 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.617 1.560 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.650 2.901 -3.174 1.00 0.00 H new ATOM 450 N TYR A 30 -0.434 3.164 1.179 1.00 0.00 N ATOM 451 CA TYR A 30 0.589 4.148 1.620 1.00 0.00 C ATOM 452 C TYR A 30 1.274 3.642 2.889 1.00 0.00 C ATOM 453 O TYR A 30 2.481 3.540 2.952 1.00 0.00 O ATOM 454 CB TYR A 30 -0.091 5.488 1.889 1.00 0.00 C ATOM 455 CG TYR A 30 -1.050 5.771 0.760 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.662 5.513 -0.560 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.326 6.267 1.029 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.552 5.752 -1.611 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.217 6.510 -0.022 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.831 6.251 -1.342 1.00 0.00 C ATOM 461 OH TYR A 30 -3.712 6.489 -2.378 1.00 0.00 O ATOM 0 H TYR A 30 -1.401 3.478 1.260 1.00 0.00 H new ATOM 0 HA TYR A 30 1.341 4.275 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.623 5.459 2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.652 6.282 1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.326 5.129 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.626 6.463 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.253 5.552 -2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.203 6.898 0.186 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.478 7.333 -2.819 1.00 0.00 H new ATOM 471 N ALA A 31 0.515 3.315 3.896 1.00 0.00 N ATOM 472 CA ALA A 31 1.131 2.808 5.153 1.00 0.00 C ATOM 473 C ALA A 31 1.844 1.483 4.870 1.00 0.00 C ATOM 474 O ALA A 31 2.623 1.004 5.671 1.00 0.00 O ATOM 475 CB ALA A 31 0.039 2.585 6.202 1.00 0.00 C ATOM 0 H ALA A 31 -0.503 3.377 3.904 1.00 0.00 H new ATOM 0 HA ALA A 31 1.850 3.537 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.489 2.214 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.471 3.527 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.680 1.855 5.830 1.00 0.00 H new ATOM 481 N HIS A 32 1.581 0.883 3.740 1.00 0.00 N ATOM 482 CA HIS A 32 2.239 -0.413 3.414 1.00 0.00 C ATOM 483 C HIS A 32 3.680 -0.172 2.952 1.00 0.00 C ATOM 484 O HIS A 32 4.626 -0.528 3.627 1.00 0.00 O ATOM 485 CB HIS A 32 1.453 -1.115 2.304 1.00 0.00 C ATOM 486 CG HIS A 32 2.155 -2.389 1.927 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.550 -3.630 2.049 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.415 -2.634 1.439 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.438 -4.557 1.642 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.591 -4.003 1.259 1.00 0.00 N ATOM 0 H HIS A 32 0.939 1.235 3.030 1.00 0.00 H new ATOM 0 HA HIS A 32 2.255 -1.040 4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.439 -1.331 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.367 -0.463 1.435 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.157 -1.879 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.242 -5.619 1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.422 -4.480 0.910 1.00 0.00 H new ATOM 498 N ILE A 33 3.858 0.416 1.800 1.00 0.00 N ATOM 499 CA ILE A 33 5.240 0.662 1.291 1.00 0.00 C ATOM 500 C ILE A 33 5.982 1.635 2.211 1.00 0.00 C ATOM 501 O ILE A 33 7.163 1.489 2.454 1.00 0.00 O ATOM 502 CB ILE A 33 5.171 1.247 -0.121 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.356 2.540 -0.114 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.511 0.241 -1.065 1.00 0.00 C ATOM 505 CD1 ILE A 33 5.310 3.727 -0.214 1.00 0.00 C ATOM 0 H ILE A 33 3.107 0.737 1.189 1.00 0.00 H new ATOM 0 HA ILE A 33 5.779 -0.285 1.270 1.00 0.00 H new ATOM 0 HB ILE A 33 6.184 1.461 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.655 2.548 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.765 2.608 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.464 0.661 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.096 -0.678 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.502 0.022 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.738 4.655 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.993 3.718 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.882 3.657 -1.139 1.00 0.00 H new ATOM 517 N THR A 34 5.306 2.627 2.721 1.00 0.00 N ATOM 518 CA THR A 34 5.983 3.613 3.616 1.00 0.00 C ATOM 519 C THR A 34 6.598 2.889 4.814 1.00 0.00 C ATOM 520 O THR A 34 7.502 3.387 5.453 1.00 0.00 O ATOM 521 CB THR A 34 4.960 4.639 4.123 1.00 0.00 C ATOM 522 OG1 THR A 34 3.886 3.960 4.758 1.00 0.00 O ATOM 523 CG2 THR A 34 4.424 5.462 2.950 1.00 0.00 C ATOM 0 H THR A 34 4.314 2.799 2.558 1.00 0.00 H new ATOM 0 HA THR A 34 6.767 4.121 3.054 1.00 0.00 H new ATOM 0 HB THR A 34 5.443 5.307 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.390 3.439 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.698 6.188 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.249 5.985 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.943 4.800 2.231 1.00 0.00 H new ATOM 531 N LYS A 35 6.116 1.719 5.128 1.00 0.00 N ATOM 532 CA LYS A 35 6.679 0.974 6.288 1.00 0.00 C ATOM 533 C LYS A 35 8.155 0.670 6.039 1.00 0.00 C ATOM 534 O LYS A 35 8.987 0.826 6.911 1.00 0.00 O ATOM 535 CB LYS A 35 5.912 -0.335 6.474 1.00 0.00 C ATOM 536 CG LYS A 35 5.383 -0.414 7.905 1.00 0.00 C ATOM 537 CD LYS A 35 4.127 -1.286 7.939 1.00 0.00 C ATOM 538 CE LYS A 35 3.925 -1.834 9.352 1.00 0.00 C ATOM 539 NZ LYS A 35 2.637 -2.579 9.413 1.00 0.00 N ATOM 0 H LYS A 35 5.359 1.248 4.633 1.00 0.00 H new ATOM 0 HA LYS A 35 6.584 1.583 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.085 -0.389 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.564 -1.184 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.145 -0.831 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.154 0.586 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.258 -0.702 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.222 -2.108 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.752 -2.492 9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.920 -1.017 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.497 -2.953 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.854 -1.938 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.659 -3.367 8.735 1.00 0.00 H new ATOM 553 N HIS A 36 8.490 0.231 4.857 1.00 0.00 N ATOM 554 CA HIS A 36 9.916 -0.084 4.561 1.00 0.00 C ATOM 555 C HIS A 36 10.508 0.990 3.644 1.00 0.00 C ATOM 556 O HIS A 36 11.641 0.895 3.218 1.00 0.00 O ATOM 557 CB HIS A 36 10.010 -1.452 3.880 1.00 0.00 C ATOM 558 CG HIS A 36 8.791 -1.681 3.030 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.800 -1.485 1.659 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.520 -2.095 3.343 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.569 -1.777 1.201 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.750 -2.154 2.186 1.00 0.00 N ATOM 0 H HIS A 36 7.840 0.077 4.086 1.00 0.00 H new ATOM 0 HA HIS A 36 10.478 -0.105 5.495 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.908 -1.502 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.094 -2.238 4.631 1.00 0.00 H new ATOM 0 HD1 HIS A 36 9.594 -1.176 1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.171 -2.338 4.336 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.279 -1.714 0.163 1.00 0.00 H new ATOM 570 N TYR A 37 9.756 2.014 3.335 1.00 0.00 N ATOM 571 CA TYR A 37 10.291 3.085 2.449 1.00 0.00 C ATOM 572 C TYR A 37 10.360 4.406 3.231 1.00 0.00 C ATOM 573 O TYR A 37 9.342 4.939 3.624 1.00 0.00 O ATOM 574 CB TYR A 37 9.369 3.251 1.239 1.00 0.00 C ATOM 575 CG TYR A 37 10.016 2.624 0.031 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.515 1.319 0.107 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.116 3.344 -1.164 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.116 0.733 -1.011 1.00 0.00 C ATOM 579 CE2 TYR A 37 10.718 2.758 -2.283 1.00 0.00 C ATOM 580 CZ TYR A 37 11.218 1.454 -2.207 1.00 0.00 C ATOM 581 OH TYR A 37 11.815 0.879 -3.310 1.00 0.00 O ATOM 0 H TYR A 37 8.798 2.153 3.657 1.00 0.00 H new ATOM 0 HA TYR A 37 11.290 2.814 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.405 2.781 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.177 4.308 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.436 0.764 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.729 4.351 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.501 -0.274 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.797 3.313 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 37 11.156 0.338 -3.794 1.00 0.00 H new ATOM 591 N PRO A 38 11.561 4.893 3.440 1.00 0.00 N ATOM 592 CA PRO A 38 11.789 6.147 4.181 1.00 0.00 C ATOM 593 C PRO A 38 11.504 7.363 3.293 1.00 0.00 C ATOM 594 O PRO A 38 11.191 8.433 3.774 1.00 0.00 O ATOM 595 CB PRO A 38 13.273 6.082 4.551 1.00 0.00 C ATOM 596 CG PRO A 38 13.932 5.107 3.547 1.00 0.00 C ATOM 597 CD PRO A 38 12.799 4.244 2.961 1.00 0.00 C ATOM 0 HA PRO A 38 11.139 6.250 5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.732 7.069 4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.403 5.731 5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.449 5.654 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.676 4.484 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.840 4.220 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.866 3.212 3.305 1.00 0.00 H new ATOM 605 N TYR A 39 11.614 7.209 2.003 1.00 0.00 N ATOM 606 CA TYR A 39 11.353 8.361 1.094 1.00 0.00 C ATOM 607 C TYR A 39 9.869 8.740 1.154 1.00 0.00 C ATOM 608 O TYR A 39 9.506 9.886 0.971 1.00 0.00 O ATOM 609 CB TYR A 39 11.726 7.975 -0.343 1.00 0.00 C ATOM 610 CG TYR A 39 11.128 8.972 -1.310 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.672 10.257 -1.416 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.023 8.613 -2.092 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.113 11.183 -2.305 1.00 0.00 C ATOM 614 CE2 TYR A 39 9.464 9.540 -2.981 1.00 0.00 C ATOM 615 CZ TYR A 39 10.009 10.824 -3.087 1.00 0.00 C ATOM 616 OH TYR A 39 9.457 11.737 -3.963 1.00 0.00 O ATOM 0 H TYR A 39 11.873 6.338 1.539 1.00 0.00 H new ATOM 0 HA TYR A 39 11.956 9.213 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.810 7.952 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.361 6.973 -0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.523 10.534 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.602 7.622 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.534 12.174 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.612 9.263 -3.585 1.00 0.00 H new ATOM 0 HH TYR A 39 8.699 11.326 -4.429 1.00 0.00 H new ATOM 626 N TYR A 40 9.007 7.793 1.397 1.00 0.00 N ATOM 627 CA TYR A 40 7.553 8.115 1.450 1.00 0.00 C ATOM 628 C TYR A 40 7.146 8.483 2.878 1.00 0.00 C ATOM 629 O TYR A 40 6.024 8.875 3.129 1.00 0.00 O ATOM 630 CB TYR A 40 6.749 6.905 0.977 1.00 0.00 C ATOM 631 CG TYR A 40 6.452 7.061 -0.494 1.00 0.00 C ATOM 632 CD1 TYR A 40 5.959 8.279 -0.977 1.00 0.00 C ATOM 633 CD2 TYR A 40 6.671 5.996 -1.375 1.00 0.00 C ATOM 634 CE1 TYR A 40 5.683 8.431 -2.341 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.395 6.149 -2.740 1.00 0.00 C ATOM 636 CZ TYR A 40 5.900 7.366 -3.221 1.00 0.00 C ATOM 637 OH TYR A 40 5.627 7.515 -4.566 1.00 0.00 O ATOM 0 H TYR A 40 9.244 6.814 1.561 1.00 0.00 H new ATOM 0 HA TYR A 40 7.350 8.965 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.310 5.987 1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.821 6.825 1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.792 9.101 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.053 5.057 -1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.303 9.371 -2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.564 5.328 -3.421 1.00 0.00 H new ATOM 0 HH TYR A 40 5.834 6.681 -5.036 1.00 0.00 H new ATOM 647 N ARG A 41 8.045 8.372 3.817 1.00 0.00 N ATOM 648 CA ARG A 41 7.695 8.729 5.219 1.00 0.00 C ATOM 649 C ARG A 41 7.510 10.245 5.318 1.00 0.00 C ATOM 650 O ARG A 41 6.977 10.756 6.283 1.00 0.00 O ATOM 651 CB ARG A 41 8.819 8.290 6.159 1.00 0.00 C ATOM 652 CG ARG A 41 8.313 8.314 7.603 1.00 0.00 C ATOM 653 CD ARG A 41 8.420 6.914 8.209 1.00 0.00 C ATOM 654 NE ARG A 41 9.747 6.759 8.867 1.00 0.00 N ATOM 655 CZ ARG A 41 9.988 5.717 9.615 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.717 4.520 9.170 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.499 5.870 10.805 1.00 0.00 N ATOM 0 H ARG A 41 9.003 8.051 3.674 1.00 0.00 H new ATOM 0 HA ARG A 41 6.772 8.225 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.156 7.287 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.677 8.953 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.897 9.021 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.278 8.655 7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.622 6.758 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.297 6.159 7.432 1.00 0.00 H new ATOM 0 HE ARG A 41 10.468 7.468 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.318 4.400 8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.905 3.704 9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.711 6.805 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.687 5.054 11.388 1.00 0.00 H new ATOM 671 N THR A 42 7.949 10.968 4.324 1.00 0.00 N ATOM 672 CA THR A 42 7.802 12.450 4.350 1.00 0.00 C ATOM 673 C THR A 42 8.216 13.021 2.993 1.00 0.00 C ATOM 674 O THR A 42 8.910 14.015 2.910 1.00 0.00 O ATOM 675 CB THR A 42 8.697 13.035 5.447 1.00 0.00 C ATOM 676 OG1 THR A 42 9.218 11.980 6.243 1.00 0.00 O ATOM 677 CG2 THR A 42 7.881 13.984 6.324 1.00 0.00 C ATOM 0 H THR A 42 8.405 10.594 3.492 1.00 0.00 H new ATOM 0 HA THR A 42 6.764 12.711 4.555 1.00 0.00 H new ATOM 0 HB THR A 42 9.519 13.586 4.990 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.792 12.352 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.520 14.399 7.104 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.483 14.793 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.057 13.437 6.783 1.00 0.00 H new ATOM 685 N ALA A 43 7.798 12.395 1.927 1.00 0.00 N ATOM 686 CA ALA A 43 8.168 12.894 0.572 1.00 0.00 C ATOM 687 C ALA A 43 7.190 13.992 0.144 1.00 0.00 C ATOM 688 O ALA A 43 7.408 15.160 0.391 1.00 0.00 O ATOM 689 CB ALA A 43 8.107 11.739 -0.429 1.00 0.00 C ATOM 0 H ALA A 43 7.215 11.558 1.936 1.00 0.00 H new ATOM 0 HA ALA A 43 9.179 13.301 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.377 12.102 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.804 10.958 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.096 11.333 -0.455 1.00 0.00 H new ATOM 695 N ASP A 44 6.113 13.625 -0.499 1.00 0.00 N ATOM 696 CA ASP A 44 5.128 14.651 -0.944 1.00 0.00 C ATOM 697 C ASP A 44 3.732 14.027 -1.012 1.00 0.00 C ATOM 698 O ASP A 44 3.582 12.837 -1.210 1.00 0.00 O ATOM 699 CB ASP A 44 5.521 15.165 -2.329 1.00 0.00 C ATOM 700 CG ASP A 44 6.543 16.294 -2.187 1.00 0.00 C ATOM 701 OD1 ASP A 44 7.721 15.991 -2.090 1.00 0.00 O ATOM 702 OD2 ASP A 44 6.130 17.442 -2.178 1.00 0.00 O ATOM 0 H ASP A 44 5.874 12.662 -0.734 1.00 0.00 H new ATOM 0 HA ASP A 44 5.121 15.478 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.941 14.354 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.639 15.524 -2.858 1.00 0.00 H new ATOM 707 N LYS A 45 2.709 14.821 -0.855 1.00 0.00 N ATOM 708 CA LYS A 45 1.322 14.275 -0.913 1.00 0.00 C ATOM 709 C LYS A 45 0.842 14.256 -2.367 1.00 0.00 C ATOM 710 O LYS A 45 -0.229 14.737 -2.681 1.00 0.00 O ATOM 711 CB LYS A 45 0.391 15.157 -0.080 1.00 0.00 C ATOM 712 CG LYS A 45 0.582 14.844 1.405 1.00 0.00 C ATOM 713 CD LYS A 45 -0.642 15.322 2.190 1.00 0.00 C ATOM 714 CE LYS A 45 -0.726 16.848 2.121 1.00 0.00 C ATOM 715 NZ LYS A 45 -1.849 17.325 2.977 1.00 0.00 N ATOM 0 H LYS A 45 2.773 15.825 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 45 1.314 13.261 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.603 16.209 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.646 14.983 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.722 13.772 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.481 15.335 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.548 14.878 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.572 14.997 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.213 17.290 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.879 17.168 1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.905 18.362 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.742 16.914 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.684 17.032 3.961 1.00 0.00 H new ATOM 729 N GLY A 46 1.624 13.707 -3.254 1.00 0.00 N ATOM 730 CA GLY A 46 1.210 13.661 -4.685 1.00 0.00 C ATOM 731 C GLY A 46 0.759 12.242 -5.041 1.00 0.00 C ATOM 732 O GLY A 46 -0.319 12.034 -5.562 1.00 0.00 O ATOM 0 H GLY A 46 2.532 13.288 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.399 14.367 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.040 13.961 -5.325 1.00 0.00 H new ATOM 736 N TRP A 47 1.579 11.264 -4.767 1.00 0.00 N ATOM 737 CA TRP A 47 1.206 9.859 -5.093 1.00 0.00 C ATOM 738 C TRP A 47 0.007 9.410 -4.251 1.00 0.00 C ATOM 739 O TRP A 47 -0.510 8.327 -4.433 1.00 0.00 O ATOM 740 CB TRP A 47 2.397 8.931 -4.828 1.00 0.00 C ATOM 741 CG TRP A 47 2.681 8.831 -3.359 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.036 9.864 -2.553 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.663 7.644 -2.510 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.238 9.385 -1.274 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.021 8.028 -1.194 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.374 6.287 -2.748 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.093 7.101 -0.157 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.448 5.352 -1.703 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.809 5.759 -0.411 1.00 0.00 C ATOM 0 H TRP A 47 2.494 11.378 -4.330 1.00 0.00 H new ATOM 0 HA TRP A 47 0.932 9.809 -6.147 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.187 7.940 -5.230 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.278 9.306 -5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.143 10.893 -2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.515 9.967 -0.483 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.094 5.963 -3.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.367 7.419 0.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.225 4.313 -1.896 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.867 5.034 0.387 1.00 0.00 H new ATOM 760 N GLN A 48 -0.449 10.227 -3.340 1.00 0.00 N ATOM 761 CA GLN A 48 -1.624 9.814 -2.518 1.00 0.00 C ATOM 762 C GLN A 48 -2.808 9.543 -3.453 1.00 0.00 C ATOM 763 O GLN A 48 -3.236 8.418 -3.621 1.00 0.00 O ATOM 764 CB GLN A 48 -2.010 10.920 -1.524 1.00 0.00 C ATOM 765 CG GLN A 48 -0.781 11.743 -1.128 1.00 0.00 C ATOM 766 CD GLN A 48 0.373 10.809 -0.765 1.00 0.00 C ATOM 767 OE1 GLN A 48 1.525 11.156 -0.932 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.114 9.631 -0.269 1.00 0.00 N ATOM 0 H GLN A 48 -0.066 11.149 -3.131 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.365 8.917 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.762 11.571 -1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.459 10.477 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.488 12.395 -1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.020 12.386 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.853 9.338 -0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.878 9.002 -0.022 1.00 0.00 H new ATOM 777 N ASN A 49 -3.335 10.569 -4.068 1.00 0.00 N ATOM 778 CA ASN A 49 -4.487 10.382 -4.998 1.00 0.00 C ATOM 779 C ASN A 49 -4.006 9.704 -6.283 1.00 0.00 C ATOM 780 O ASN A 49 -4.767 9.069 -6.983 1.00 0.00 O ATOM 781 CB ASN A 49 -5.088 11.746 -5.343 1.00 0.00 C ATOM 782 CG ASN A 49 -6.160 12.109 -4.313 1.00 0.00 C ATOM 783 OD1 ASN A 49 -6.211 11.535 -3.243 1.00 0.00 O ATOM 784 ND2 ASN A 49 -7.025 13.047 -4.591 1.00 0.00 N ATOM 0 H ASN A 49 -3.016 11.532 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.241 9.758 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.307 12.507 -5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.523 11.721 -6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.742 13.297 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.983 13.529 -5.489 1.00 0.00 H new ATOM 791 N SER A 50 -2.750 9.838 -6.602 1.00 0.00 N ATOM 792 CA SER A 50 -2.228 9.205 -7.845 1.00 0.00 C ATOM 793 C SER A 50 -2.421 7.689 -7.773 1.00 0.00 C ATOM 794 O SER A 50 -2.790 7.061 -8.741 1.00 0.00 O ATOM 795 CB SER A 50 -0.741 9.524 -7.994 1.00 0.00 C ATOM 796 OG SER A 50 -0.343 9.288 -9.338 1.00 0.00 O ATOM 0 H SER A 50 -2.062 10.358 -6.057 1.00 0.00 H new ATOM 0 HA SER A 50 -2.772 9.596 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.551 10.563 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.155 8.905 -7.315 1.00 0.00 H new ATOM 0 HG SER A 50 0.634 9.337 -9.403 1.00 0.00 H new ATOM 802 N ILE A 51 -2.169 7.098 -6.635 1.00 0.00 N ATOM 803 CA ILE A 51 -2.331 5.620 -6.500 1.00 0.00 C ATOM 804 C ILE A 51 -3.792 5.232 -6.770 1.00 0.00 C ATOM 805 O ILE A 51 -4.072 4.347 -7.554 1.00 0.00 O ATOM 806 CB ILE A 51 -1.892 5.200 -5.080 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.482 4.611 -5.146 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.835 4.145 -4.487 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.462 5.603 -5.814 1.00 0.00 C ATOM 0 H ILE A 51 -1.857 7.577 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.708 5.101 -7.228 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.917 6.085 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.128 4.378 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.495 3.675 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.495 3.874 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.845 4.551 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.836 3.260 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.465 5.178 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.112 5.814 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.485 6.528 -5.238 1.00 0.00 H new ATOM 821 N ARG A 52 -4.723 5.882 -6.128 1.00 0.00 N ATOM 822 CA ARG A 52 -6.158 5.541 -6.350 1.00 0.00 C ATOM 823 C ARG A 52 -6.487 5.647 -7.841 1.00 0.00 C ATOM 824 O ARG A 52 -7.031 4.738 -8.434 1.00 0.00 O ATOM 825 CB ARG A 52 -7.041 6.516 -5.568 1.00 0.00 C ATOM 826 CG ARG A 52 -8.514 6.206 -5.843 1.00 0.00 C ATOM 827 CD ARG A 52 -9.286 7.515 -6.028 1.00 0.00 C ATOM 828 NE ARG A 52 -10.587 7.429 -5.308 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.863 8.277 -4.356 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.519 9.530 -4.479 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.482 7.874 -3.280 1.00 0.00 N ATOM 0 H ARG A 52 -4.553 6.634 -5.460 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.343 4.523 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.835 6.434 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.814 7.542 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.606 5.588 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.937 5.636 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.701 8.352 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.456 7.703 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.262 6.707 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.035 9.846 -5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.735 10.193 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.751 6.895 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.697 8.538 -2.536 1.00 0.00 H new ATOM 845 N HIS A 53 -6.164 6.756 -8.445 1.00 0.00 N ATOM 846 CA HIS A 53 -6.457 6.935 -9.893 1.00 0.00 C ATOM 847 C HIS A 53 -5.586 5.986 -10.720 1.00 0.00 C ATOM 848 O HIS A 53 -5.887 5.682 -11.857 1.00 0.00 O ATOM 849 CB HIS A 53 -6.148 8.380 -10.284 1.00 0.00 C ATOM 850 CG HIS A 53 -6.944 8.752 -11.505 1.00 0.00 C ATOM 851 ND1 HIS A 53 -6.610 9.833 -12.304 1.00 0.00 N ATOM 852 CD2 HIS A 53 -8.060 8.193 -12.077 1.00 0.00 C ATOM 853 CE1 HIS A 53 -7.509 9.890 -13.305 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.415 8.914 -13.213 1.00 0.00 N ATOM 0 H HIS A 53 -5.707 7.550 -7.995 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.507 6.713 -10.085 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.392 9.051 -9.460 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.082 8.494 -10.483 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.583 7.326 -11.702 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.498 10.635 -14.087 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.199 8.735 -13.841 1.00 0.00 H new ATOM 862 N ASN A 54 -4.508 5.518 -10.155 1.00 0.00 N ATOM 863 CA ASN A 54 -3.610 4.590 -10.900 1.00 0.00 C ATOM 864 C ASN A 54 -4.292 3.235 -11.049 1.00 0.00 C ATOM 865 O ASN A 54 -4.269 2.623 -12.097 1.00 0.00 O ATOM 866 CB ASN A 54 -2.303 4.413 -10.121 1.00 0.00 C ATOM 867 CG ASN A 54 -1.241 5.352 -10.695 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.933 5.296 -11.869 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.661 6.218 -9.909 1.00 0.00 N ATOM 0 H ASN A 54 -4.209 5.739 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.397 5.004 -11.886 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.464 4.629 -9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.964 3.379 -10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.051 6.847 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.919 6.265 -8.923 1.00 0.00 H new ATOM 876 N LEU A 55 -4.893 2.761 -9.997 1.00 0.00 N ATOM 877 CA LEU A 55 -5.574 1.443 -10.053 1.00 0.00 C ATOM 878 C LEU A 55 -6.803 1.532 -10.960 1.00 0.00 C ATOM 879 O LEU A 55 -7.440 0.540 -11.257 1.00 0.00 O ATOM 880 CB LEU A 55 -5.992 1.050 -8.637 1.00 0.00 C ATOM 881 CG LEU A 55 -4.780 1.161 -7.713 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.196 0.849 -6.275 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.715 0.167 -8.169 1.00 0.00 C ATOM 0 H LEU A 55 -4.942 3.234 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.898 0.690 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.794 1.700 -8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.381 0.032 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.379 2.174 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.329 0.929 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.959 1.558 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.597 -0.163 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.846 0.239 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.119 -0.844 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.419 0.395 -9.193 1.00 0.00 H new ATOM 895 N SER A 56 -7.136 2.710 -11.413 1.00 0.00 N ATOM 896 CA SER A 56 -8.316 2.854 -12.311 1.00 0.00 C ATOM 897 C SER A 56 -7.896 2.529 -13.744 1.00 0.00 C ATOM 898 O SER A 56 -8.661 1.995 -14.522 1.00 0.00 O ATOM 899 CB SER A 56 -8.839 4.289 -12.247 1.00 0.00 C ATOM 900 OG SER A 56 -9.681 4.530 -13.366 1.00 0.00 O ATOM 0 H SER A 56 -6.643 3.577 -11.200 1.00 0.00 H new ATOM 0 HA SER A 56 -9.103 2.170 -11.993 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.391 4.446 -11.321 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.006 4.992 -12.245 1.00 0.00 H new ATOM 0 HG SER A 56 -10.020 5.449 -13.328 1.00 0.00 H new ATOM 906 N LEU A 57 -6.680 2.846 -14.098 1.00 0.00 N ATOM 907 CA LEU A 57 -6.203 2.553 -15.479 1.00 0.00 C ATOM 908 C LEU A 57 -5.588 1.153 -15.515 1.00 0.00 C ATOM 909 O LEU A 57 -5.699 0.439 -16.492 1.00 0.00 O ATOM 910 CB LEU A 57 -5.143 3.583 -15.881 1.00 0.00 C ATOM 911 CG LEU A 57 -5.737 4.989 -15.803 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.321 5.650 -14.486 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.220 5.826 -16.976 1.00 0.00 C ATOM 0 H LEU A 57 -5.996 3.296 -13.489 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.042 2.603 -16.173 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.278 3.506 -15.222 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.791 3.382 -16.893 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.824 4.925 -15.850 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.745 6.653 -14.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.687 5.055 -13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.234 5.713 -14.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.643 6.829 -16.922 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.133 5.888 -16.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.516 5.358 -17.915 1.00 0.00 H new ATOM 925 N ASN A 58 -4.935 0.758 -14.456 1.00 0.00 N ATOM 926 CA ASN A 58 -4.307 -0.594 -14.427 1.00 0.00 C ATOM 927 C ASN A 58 -5.392 -1.669 -14.504 1.00 0.00 C ATOM 928 O ASN A 58 -6.462 -1.528 -13.947 1.00 0.00 O ATOM 929 CB ASN A 58 -3.510 -0.767 -13.134 1.00 0.00 C ATOM 930 CG ASN A 58 -2.106 -0.188 -13.325 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.155 -0.921 -13.512 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.936 1.106 -13.291 1.00 0.00 N ATOM 0 H ASN A 58 -4.809 1.313 -13.610 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.637 -0.694 -15.281 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.016 -0.262 -12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.448 -1.823 -12.870 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.005 1.502 -13.421 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.734 1.721 -13.134 1.00 0.00 H new ATOM 939 N ARG A 59 -5.126 -2.741 -15.202 1.00 0.00 N ATOM 940 CA ARG A 59 -6.143 -3.822 -15.328 1.00 0.00 C ATOM 941 C ARG A 59 -5.972 -4.863 -14.217 1.00 0.00 C ATOM 942 O ARG A 59 -6.903 -5.567 -13.880 1.00 0.00 O ATOM 943 CB ARG A 59 -5.984 -4.510 -16.686 1.00 0.00 C ATOM 944 CG ARG A 59 -6.853 -5.769 -16.725 1.00 0.00 C ATOM 945 CD ARG A 59 -7.522 -5.885 -18.095 1.00 0.00 C ATOM 946 NE ARG A 59 -7.902 -7.305 -18.344 1.00 0.00 N ATOM 947 CZ ARG A 59 -7.382 -7.953 -19.350 1.00 0.00 C ATOM 948 NH1 ARG A 59 -7.910 -7.846 -20.539 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.333 -8.707 -19.167 1.00 0.00 N ATOM 0 H ARG A 59 -4.247 -2.914 -15.690 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.134 -3.377 -15.243 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.275 -3.830 -17.487 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.939 -4.771 -16.853 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.243 -6.651 -16.531 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.610 -5.726 -15.942 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.406 -5.248 -18.135 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.843 -5.537 -18.874 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.569 -7.770 -17.728 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.729 -7.256 -20.682 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.503 -8.353 -21.325 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.920 -8.790 -18.238 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.926 -9.214 -19.953 1.00 0.00 H new ATOM 963 N TYR A 60 -4.797 -4.998 -13.660 1.00 0.00 N ATOM 964 CA TYR A 60 -4.618 -6.034 -12.601 1.00 0.00 C ATOM 965 C TYR A 60 -5.027 -5.508 -11.226 1.00 0.00 C ATOM 966 O TYR A 60 -4.687 -6.084 -10.213 1.00 0.00 O ATOM 967 CB TYR A 60 -3.171 -6.532 -12.557 1.00 0.00 C ATOM 968 CG TYR A 60 -2.171 -5.394 -12.445 1.00 0.00 C ATOM 969 CD1 TYR A 60 -2.581 -4.074 -12.196 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.808 -5.677 -12.598 1.00 0.00 C ATOM 971 CE1 TYR A 60 -1.621 -3.054 -12.107 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.143 -4.657 -12.508 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.264 -3.346 -12.264 1.00 0.00 C ATOM 974 OH TYR A 60 0.673 -2.337 -12.173 1.00 0.00 O ATOM 0 H TYR A 60 -3.969 -4.448 -13.887 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.270 -6.869 -12.857 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.047 -7.206 -11.709 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.961 -7.110 -13.457 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.629 -3.845 -12.074 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.489 -6.691 -12.787 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.933 -2.038 -11.916 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.192 -4.884 -12.627 1.00 0.00 H new ATOM 0 HH TYR A 60 0.349 -1.546 -12.652 1.00 0.00 H new ATOM 984 N PHE A 61 -5.774 -4.445 -11.171 1.00 0.00 N ATOM 985 CA PHE A 61 -6.217 -3.931 -9.845 1.00 0.00 C ATOM 986 C PHE A 61 -7.738 -3.840 -9.837 1.00 0.00 C ATOM 987 O PHE A 61 -8.329 -3.021 -10.513 1.00 0.00 O ATOM 988 CB PHE A 61 -5.622 -2.551 -9.588 1.00 0.00 C ATOM 989 CG PHE A 61 -4.205 -2.693 -9.090 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.937 -3.251 -7.832 1.00 0.00 C ATOM 991 CD2 PHE A 61 -3.154 -2.251 -9.889 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.618 -3.354 -7.385 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.837 -2.358 -9.442 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.569 -2.907 -8.190 1.00 0.00 C ATOM 0 H PHE A 61 -6.096 -3.912 -11.979 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.877 -4.609 -9.062 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.638 -1.961 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.224 -2.016 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.748 -3.600 -7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.359 -1.823 -10.859 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.409 -3.780 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.025 -2.015 -10.066 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.550 -2.987 -7.842 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.377 -4.682 -9.081 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.865 -4.654 -9.034 1.00 0.00 C ATOM 1006 C ILE A 62 -10.324 -3.641 -7.980 1.00 0.00 C ATOM 1007 O ILE A 62 -9.533 -3.132 -7.211 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.396 -6.054 -8.697 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.324 -6.298 -7.189 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.547 -7.106 -9.415 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.685 -7.755 -6.891 1.00 0.00 C ATOM 0 H ILE A 62 -7.936 -5.389 -8.493 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.258 -4.355 -10.006 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.434 -6.126 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.322 -6.078 -6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.009 -5.629 -6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.923 -8.101 -9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.602 -6.945 -10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.510 -7.022 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.634 -7.930 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.696 -7.959 -7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.983 -8.415 -7.400 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.593 -3.337 -7.944 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.089 -2.351 -6.943 1.00 0.00 C ATOM 1025 C LYS A 63 -13.437 -2.809 -6.386 1.00 0.00 C ATOM 1026 O LYS A 63 -14.286 -3.299 -7.103 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.256 -0.986 -7.615 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.910 0.121 -6.618 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.741 1.367 -6.935 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.984 2.159 -5.651 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.584 3.480 -5.989 1.00 0.00 N ATOM 0 H LYS A 63 -12.305 -3.727 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.370 -2.275 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.608 -0.918 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.280 -0.865 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.111 -0.215 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.847 0.356 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.221 1.988 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.692 1.078 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.649 1.604 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.046 2.300 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.750 4.020 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.934 4.009 -6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.488 3.335 -6.483 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.639 -2.644 -5.109 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.929 -3.055 -4.492 1.00 0.00 C ATOM 1047 C VAL A 64 -15.995 -2.000 -4.828 1.00 0.00 C ATOM 1048 O VAL A 64 -15.686 -0.830 -4.940 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.728 -3.178 -2.970 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -15.077 -1.862 -2.267 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -15.616 -4.297 -2.421 1.00 0.00 C ATOM 0 H VAL A 64 -12.961 -2.240 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.261 -4.018 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.680 -3.410 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.928 -1.972 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.433 -1.067 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -16.119 -1.609 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.471 -4.381 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -16.661 -4.068 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.349 -5.240 -2.898 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.723 -0.587 -1.086 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.496 -1.374 -0.779 1.00 0.00 C ATOM 1220 C PHE A 76 -10.717 -1.645 -2.068 1.00 0.00 C ATOM 1221 O PHE A 76 -11.208 -2.282 -2.981 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.892 -2.705 -0.135 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.921 -3.039 0.972 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -11.084 -2.476 2.242 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -9.860 -3.917 0.726 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -10.183 -2.791 3.267 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -8.959 -4.231 1.750 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.122 -3.669 3.022 1.00 0.00 C ATOM 0 HA PHE A 76 -10.868 -0.807 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.905 -2.641 0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.893 -3.497 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.904 -1.799 2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.736 -4.353 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.308 -2.356 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.138 -4.907 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.429 -3.913 3.813 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.503 -1.173 -2.146 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.684 -1.405 -3.369 1.00 0.00 C ATOM 1240 C TRP A 77 -8.002 -2.768 -3.263 1.00 0.00 C ATOM 1241 O TRP A 77 -7.667 -3.214 -2.186 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.615 -0.317 -3.474 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.036 0.699 -4.482 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.230 2.012 -4.223 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.315 0.513 -5.898 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.610 2.645 -5.391 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.675 1.763 -6.453 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.290 -0.608 -6.747 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -8.999 1.895 -7.802 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.616 -0.477 -8.107 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.969 0.774 -8.634 1.00 0.00 C ATOM 0 H TRP A 77 -9.042 -0.635 -1.413 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.324 -1.378 -4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.467 0.157 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.660 -0.757 -3.762 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.108 2.488 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -8.817 3.641 -5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.019 -1.575 -6.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.272 2.860 -8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.595 -1.344 -8.750 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.217 0.870 -9.681 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.792 -3.439 -4.363 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.127 -4.771 -4.288 1.00 0.00 C ATOM 1264 C ARG A 78 -6.561 -5.177 -5.649 1.00 0.00 C ATOM 1265 O ARG A 78 -7.071 -4.809 -6.687 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.140 -5.824 -3.839 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.502 -5.539 -4.471 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.477 -5.061 -3.392 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.832 -4.888 -3.987 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.793 -5.713 -3.672 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.164 -5.839 -2.427 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.381 -6.412 -4.602 1.00 0.00 N ATOM 0 H ARG A 78 -8.049 -3.127 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.309 -4.704 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.797 -6.818 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.225 -5.819 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.403 -4.781 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.887 -6.439 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.516 -5.783 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.132 -4.118 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.009 -4.125 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.703 -5.293 -1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.915 -6.484 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.090 -6.314 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.132 -7.057 -4.357 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.531 -5.976 -5.637 1.00 0.00 N ATOM 1287 CA ILE A 79 -4.937 -6.473 -6.913 1.00 0.00 C ATOM 1288 C ILE A 79 -5.374 -7.923 -7.075 1.00 0.00 C ATOM 1289 O ILE A 79 -5.330 -8.694 -6.137 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.410 -6.361 -6.871 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -2.893 -6.247 -8.301 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.790 -7.590 -6.213 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -1.382 -6.076 -8.273 1.00 0.00 C ATOM 0 H ILE A 79 -5.070 -6.310 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.278 -5.877 -7.760 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.135 -5.482 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.160 -7.138 -8.869 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.358 -5.398 -8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.705 -7.485 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.162 -7.683 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.060 -8.481 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.006 -5.994 -9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.128 -5.172 -7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.927 -6.939 -7.787 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.817 -8.306 -8.233 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.271 -9.713 -8.390 1.00 0.00 C ATOM 1307 C ASP A 80 -5.114 -10.649 -8.039 1.00 0.00 C ATOM 1308 O ASP A 80 -3.968 -10.346 -8.310 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.719 -9.961 -9.831 1.00 0.00 C ATOM 1310 CG ASP A 80 -8.086 -10.650 -9.830 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.861 -10.385 -8.926 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -8.333 -11.432 -10.733 1.00 0.00 O ATOM 0 H ASP A 80 -5.885 -7.720 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.114 -9.901 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.776 -9.017 -10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.988 -10.582 -10.349 1.00 0.00 H new ATOM 1317 N PRO A 81 -5.448 -11.766 -7.444 1.00 0.00 N ATOM 1318 CA PRO A 81 -4.453 -12.774 -7.043 1.00 0.00 C ATOM 1319 C PRO A 81 -3.977 -13.516 -8.285 1.00 0.00 C ATOM 1320 O PRO A 81 -2.797 -13.703 -8.502 1.00 0.00 O ATOM 1321 CB PRO A 81 -5.229 -13.693 -6.094 1.00 0.00 C ATOM 1322 CG PRO A 81 -6.726 -13.503 -6.437 1.00 0.00 C ATOM 1323 CD PRO A 81 -6.844 -12.132 -7.130 1.00 0.00 C ATOM 0 HA PRO A 81 -3.564 -12.363 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.928 -14.732 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.032 -13.434 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.079 -14.300 -7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.338 -13.536 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.453 -12.192 -8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.312 -11.395 -6.478 1.00 0.00 H new ATOM 1331 N ALA A 82 -4.895 -13.907 -9.121 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.510 -14.600 -10.374 1.00 0.00 C ATOM 1333 C ALA A 82 -4.302 -13.539 -11.455 1.00 0.00 C ATOM 1334 O ALA A 82 -4.201 -13.844 -12.627 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.625 -15.557 -10.797 1.00 0.00 C ATOM 0 H ALA A 82 -5.898 -13.775 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.596 -15.174 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.339 -16.065 -11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.788 -16.295 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.544 -14.994 -10.963 1.00 0.00 H new ATOM 1341 N SER A 83 -4.237 -12.288 -11.065 1.00 0.00 N ATOM 1342 CA SER A 83 -4.036 -11.211 -12.075 1.00 0.00 C ATOM 1343 C SER A 83 -2.676 -11.394 -12.723 1.00 0.00 C ATOM 1344 O SER A 83 -2.543 -11.325 -13.930 1.00 0.00 O ATOM 1345 CB SER A 83 -4.101 -9.824 -11.421 1.00 0.00 C ATOM 1346 OG SER A 83 -5.301 -9.176 -11.821 1.00 0.00 O ATOM 0 H SER A 83 -4.314 -11.972 -10.098 1.00 0.00 H new ATOM 0 HA SER A 83 -4.828 -11.277 -12.821 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.069 -9.918 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.236 -9.229 -11.715 1.00 0.00 H new ATOM 0 HG SER A 83 -5.311 -9.079 -12.796 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.656 -11.631 -11.948 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.329 -11.816 -12.571 1.00 0.00 C ATOM 1354 C GLU A 84 0.754 -12.143 -11.545 1.00 0.00 C ATOM 1355 O GLU A 84 1.424 -11.285 -11.028 1.00 0.00 O ATOM 1356 CB GLU A 84 0.033 -10.563 -13.354 1.00 0.00 C ATOM 1357 CG GLU A 84 0.759 -10.960 -14.642 1.00 0.00 C ATOM 1358 CD GLU A 84 0.304 -10.055 -15.789 1.00 0.00 C ATOM 1359 OE1 GLU A 84 0.337 -8.848 -15.613 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.071 -10.584 -16.823 1.00 0.00 O ATOM 0 H GLU A 84 -1.686 -11.703 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.386 -12.671 -13.245 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.867 -9.996 -13.591 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.668 -9.915 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.837 -10.875 -14.504 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.549 -12.002 -14.883 1.00 0.00 H new ATOM 1367 N ALA A 85 0.990 -13.398 -11.296 1.00 0.00 N ATOM 1368 CA ALA A 85 2.090 -13.753 -10.360 1.00 0.00 C ATOM 1369 C ALA A 85 3.332 -12.974 -10.811 1.00 0.00 C ATOM 1370 O ALA A 85 4.261 -12.768 -10.059 1.00 0.00 O ATOM 1371 CB ALA A 85 2.364 -15.258 -10.423 1.00 0.00 C ATOM 0 H ALA A 85 0.477 -14.185 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 85 1.825 -13.501 -9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.171 -15.510 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.463 -15.804 -10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.653 -15.533 -11.437 1.00 0.00 H new ATOM 1377 N LYS A 86 3.339 -12.520 -12.041 1.00 0.00 N ATOM 1378 CA LYS A 86 4.486 -11.726 -12.542 1.00 0.00 C ATOM 1379 C LYS A 86 4.263 -10.256 -12.161 1.00 0.00 C ATOM 1380 O LYS A 86 5.184 -9.569 -11.762 1.00 0.00 O ATOM 1381 CB LYS A 86 4.573 -11.854 -14.064 1.00 0.00 C ATOM 1382 CG LYS A 86 6.041 -11.929 -14.487 1.00 0.00 C ATOM 1383 CD LYS A 86 6.531 -10.537 -14.887 1.00 0.00 C ATOM 1384 CE LYS A 86 5.678 -10.006 -16.041 1.00 0.00 C ATOM 1385 NZ LYS A 86 6.567 -9.485 -17.117 1.00 0.00 N ATOM 0 H LYS A 86 2.591 -12.671 -12.718 1.00 0.00 H new ATOM 0 HA LYS A 86 5.414 -12.090 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.042 -12.746 -14.395 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.090 -11.001 -14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.647 -12.317 -13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.154 -12.620 -15.323 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.470 -9.860 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.578 -10.581 -15.185 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.042 -10.800 -16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.018 -9.215 -15.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.988 -9.124 -17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.156 -8.716 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.179 -10.251 -17.463 1.00 0.00 H new ATOM 1399 N LEU A 87 3.049 -9.758 -12.274 1.00 0.00 N ATOM 1400 CA LEU A 87 2.813 -8.322 -11.901 1.00 0.00 C ATOM 1401 C LEU A 87 3.280 -8.111 -10.480 1.00 0.00 C ATOM 1402 O LEU A 87 3.739 -7.050 -10.105 1.00 0.00 O ATOM 1403 CB LEU A 87 1.323 -7.915 -12.025 1.00 0.00 C ATOM 1404 CG LEU A 87 0.447 -8.606 -10.957 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.472 -7.839 -9.656 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.010 -8.662 -11.413 1.00 0.00 C ATOM 0 H LEU A 87 2.230 -10.270 -12.600 1.00 0.00 H new ATOM 0 HA LEU A 87 3.374 -7.695 -12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.232 -6.833 -11.925 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.957 -8.175 -13.018 1.00 0.00 H new ATOM 0 HG LEU A 87 0.851 -9.609 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.153 -8.347 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.496 -7.784 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.091 -6.831 -9.821 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.612 -9.152 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.380 -7.649 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.078 -9.224 -12.344 1.00 0.00 H new ATOM 1418 N VAL A 88 3.173 -9.124 -9.697 1.00 0.00 N ATOM 1419 CA VAL A 88 3.604 -9.030 -8.291 1.00 0.00 C ATOM 1420 C VAL A 88 5.111 -9.259 -8.196 1.00 0.00 C ATOM 1421 O VAL A 88 5.775 -8.742 -7.321 1.00 0.00 O ATOM 1422 CB VAL A 88 2.899 -10.110 -7.517 1.00 0.00 C ATOM 1423 CG1 VAL A 88 1.392 -9.854 -7.499 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.167 -11.443 -8.196 1.00 0.00 C ATOM 0 H VAL A 88 2.799 -10.032 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 88 3.365 -8.044 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 88 3.267 -10.119 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.895 -10.644 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.192 -8.891 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.012 -9.844 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.663 -12.239 -7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.791 -11.413 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.240 -11.635 -8.210 1.00 0.00 H new ATOM 1434 N GLU A 89 5.655 -10.042 -9.083 1.00 0.00 N ATOM 1435 CA GLU A 89 7.119 -10.302 -9.037 1.00 0.00 C ATOM 1436 C GLU A 89 7.839 -8.959 -9.090 1.00 0.00 C ATOM 1437 O GLU A 89 8.715 -8.678 -8.298 1.00 0.00 O ATOM 1438 CB GLU A 89 7.534 -11.158 -10.235 1.00 0.00 C ATOM 1439 CG GLU A 89 9.061 -11.191 -10.332 1.00 0.00 C ATOM 1440 CD GLU A 89 9.517 -12.599 -10.721 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.736 -13.521 -10.551 1.00 0.00 O ATOM 1442 OE2 GLU A 89 10.639 -12.731 -11.181 1.00 0.00 O ATOM 0 H GLU A 89 5.151 -10.512 -9.835 1.00 0.00 H new ATOM 0 HA GLU A 89 7.378 -10.836 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.144 -12.170 -10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.109 -10.750 -11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.405 -10.468 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.503 -10.905 -9.378 1.00 0.00 H new ATOM 1449 N GLN A 90 7.456 -8.117 -10.009 1.00 0.00 N ATOM 1450 CA GLN A 90 8.097 -6.780 -10.099 1.00 0.00 C ATOM 1451 C GLN A 90 7.778 -6.011 -8.818 1.00 0.00 C ATOM 1452 O GLN A 90 8.487 -5.104 -8.428 1.00 0.00 O ATOM 1453 CB GLN A 90 7.535 -6.026 -11.307 1.00 0.00 C ATOM 1454 CG GLN A 90 8.529 -6.107 -12.465 1.00 0.00 C ATOM 1455 CD GLN A 90 9.714 -5.181 -12.187 1.00 0.00 C ATOM 1456 OE1 GLN A 90 10.365 -5.296 -11.169 1.00 0.00 O ATOM 1457 NE2 GLN A 90 10.020 -4.257 -13.057 1.00 0.00 N ATOM 0 H GLN A 90 6.728 -8.298 -10.700 1.00 0.00 H new ATOM 0 HA GLN A 90 9.176 -6.883 -10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.578 -6.455 -11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.349 -4.984 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.877 -7.133 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.042 -5.821 -13.397 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.473 -4.161 -13.912 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.806 -3.631 -12.881 1.00 0.00 H new ATOM 1466 N ALA A 91 6.709 -6.375 -8.161 1.00 0.00 N ATOM 1467 CA ALA A 91 6.329 -5.676 -6.903 1.00 0.00 C ATOM 1468 C ALA A 91 7.353 -5.978 -5.806 1.00 0.00 C ATOM 1469 O ALA A 91 7.800 -5.093 -5.106 1.00 0.00 O ATOM 1470 CB ALA A 91 4.947 -6.137 -6.447 1.00 0.00 C ATOM 0 H ALA A 91 6.082 -7.128 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 91 6.308 -4.603 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.677 -5.621 -5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.214 -5.908 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.963 -7.212 -6.269 1.00 0.00 H new ATOM 1476 N PHE A 92 7.719 -7.218 -5.646 1.00 0.00 N ATOM 1477 CA PHE A 92 8.702 -7.579 -4.585 1.00 0.00 C ATOM 1478 C PHE A 92 10.013 -6.809 -4.787 1.00 0.00 C ATOM 1479 O PHE A 92 10.582 -6.287 -3.848 1.00 0.00 O ATOM 1480 CB PHE A 92 8.973 -9.084 -4.642 1.00 0.00 C ATOM 1481 CG PHE A 92 7.663 -9.818 -4.810 1.00 0.00 C ATOM 1482 CD1 PHE A 92 6.527 -9.388 -4.113 1.00 0.00 C ATOM 1483 CD2 PHE A 92 7.583 -10.926 -5.663 1.00 0.00 C ATOM 1484 CE1 PHE A 92 5.313 -10.065 -4.269 1.00 0.00 C ATOM 1485 CE2 PHE A 92 6.368 -11.603 -5.818 1.00 0.00 C ATOM 1486 CZ PHE A 92 5.233 -11.173 -5.120 1.00 0.00 C ATOM 0 H PHE A 92 7.379 -8.000 -6.205 1.00 0.00 H new ATOM 0 HA PHE A 92 8.290 -7.314 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 92 9.642 -9.314 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.472 -9.411 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.588 -8.534 -3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.459 -11.258 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.437 -9.732 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.306 -12.457 -6.476 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.296 -11.696 -5.238 1.00 0.00 H new ATOM 1496 N ARG A 93 10.503 -6.735 -5.995 1.00 0.00 N ATOM 1497 CA ARG A 93 11.781 -5.998 -6.230 1.00 0.00 C ATOM 1498 C ARG A 93 11.583 -4.940 -7.318 1.00 0.00 C ATOM 1499 O ARG A 93 10.816 -5.120 -8.243 1.00 0.00 O ATOM 1500 CB ARG A 93 12.865 -6.982 -6.672 1.00 0.00 C ATOM 1501 CG ARG A 93 12.299 -7.925 -7.735 1.00 0.00 C ATOM 1502 CD ARG A 93 13.317 -8.091 -8.865 1.00 0.00 C ATOM 1503 NE ARG A 93 12.886 -9.199 -9.763 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.043 -10.440 -9.389 1.00 0.00 C ATOM 1505 NH1 ARG A 93 12.101 -11.043 -8.715 1.00 0.00 N ATOM 1506 NH2 ARG A 93 14.140 -11.077 -9.689 1.00 0.00 N ATOM 0 H ARG A 93 10.078 -7.149 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 93 12.084 -5.509 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.722 -6.439 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.221 -7.555 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.071 -8.894 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.364 -7.526 -8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.403 -7.163 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.303 -8.306 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 93 12.469 -8.988 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.243 -10.544 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.224 -12.013 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.875 -10.606 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.263 -12.047 -9.397 1.00 0.00 H new ATOM 1520 N LYS A 94 12.277 -3.839 -7.215 1.00 0.00 N ATOM 1521 CA LYS A 94 12.142 -2.767 -8.241 1.00 0.00 C ATOM 1522 C LYS A 94 13.535 -2.334 -8.704 1.00 0.00 C ATOM 1523 O LYS A 94 13.908 -2.522 -9.845 1.00 0.00 O ATOM 1524 CB LYS A 94 11.409 -1.568 -7.636 1.00 0.00 C ATOM 1525 CG LYS A 94 10.326 -1.090 -8.605 1.00 0.00 C ATOM 1526 CD LYS A 94 10.980 -0.526 -9.869 1.00 0.00 C ATOM 1527 CE LYS A 94 9.901 0.052 -10.788 1.00 0.00 C ATOM 1528 NZ LYS A 94 10.512 0.427 -12.094 1.00 0.00 N ATOM 0 H LYS A 94 12.934 -3.636 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 94 11.574 -3.145 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.961 -1.846 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.114 -0.761 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.665 -1.917 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.710 -0.326 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.700 0.248 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.532 -1.311 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.108 -0.680 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.443 0.925 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.780 0.820 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.254 1.139 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.930 -0.416 -12.537 1.00 0.00 H new