USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 668 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 24 GLN : amide:sc= 0.837 K(o=-0.24,f=-17!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -122:sc= -1.08! (180deg=-2.36!) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= -0.434 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -170:sc= 0.146 (180deg=-1.02) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.918! C(o=-1.4!,f=-3.3!) USER MOD Set 3.2: A 6 TYR OH : rot 46:sc= 0.172 USER MOD Set 3.3: A 78 SER OG : rot 86:sc= -0.632! USER MOD Set 4.1: A 3 GLN : amide:sc= -11! C(o=-10!,f=-15!) USER MOD Set 4.2: A 64 TYR OH : rot 59:sc= 0.708 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00354 USER MOD Single : A 12 THR OG1 : rot 85:sc= 0.0802 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -9.45! C(o=-10!,f=-9.5!) USER MOD Single : A 20 THR OG1 : rot 99:sc= 0.583 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -17:sc= -5.22! USER MOD Single : A 34 GLN : amide:sc= -1.33 X(o=-1.3,f=-1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 38 ASN :FLIP amide:sc= -11.1! C(o=-12!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.058 F(o=-1.6,f=-0.058) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 147:sc= -0.831! (180deg=-3.1!) USER MOD Single : A 52 SER OG : rot 93:sc= 1.07 USER MOD Single : A 57 LYS NZ :NH3+ -119:sc= -1.83! (180deg=-2.89!) USER MOD Single : A 62 THR OG1 : rot -5:sc= -1.73! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 65:sc= -1.57! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.843 F(o=-3.3!,f=-0.84) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -7.049 -0.921 11.594 1.00 0.00 N ATOM 19 CA GLU A 2 -5.998 -1.920 11.513 1.00 0.00 C ATOM 20 C GLU A 2 -5.096 -1.646 10.307 1.00 0.00 C ATOM 21 O GLU A 2 -5.582 -1.476 9.190 1.00 0.00 O ATOM 22 CB GLU A 2 -6.586 -3.331 11.447 1.00 0.00 C ATOM 23 CG GLU A 2 -6.100 -4.071 10.199 1.00 0.00 C ATOM 24 CD GLU A 2 -6.223 -5.586 10.377 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.663 -6.052 11.439 1.00 0.00 O ATOM 26 OE2 GLU A 2 -5.843 -6.286 9.363 1.00 0.00 O ATOM 0 HA GLU A 2 -5.393 -1.855 12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.301 -3.889 12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.675 -3.275 11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.683 -3.754 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.062 -3.808 9.997 1.00 0.00 H new ATOM 34 N GLN A 3 -3.799 -1.611 10.575 1.00 0.00 N ATOM 35 CA GLN A 3 -2.825 -1.360 9.526 1.00 0.00 C ATOM 36 C GLN A 3 -1.941 -2.590 9.317 1.00 0.00 C ATOM 37 O GLN A 3 -2.138 -3.618 9.964 1.00 0.00 O ATOM 38 CB GLN A 3 -1.981 -0.125 9.846 1.00 0.00 C ATOM 39 CG GLN A 3 -1.011 -0.407 10.995 1.00 0.00 C ATOM 40 CD GLN A 3 0.286 0.386 10.825 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.380 1.311 10.035 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.279 -0.026 11.608 1.00 0.00 N ATOM 0 H GLN A 3 -3.400 -1.752 11.503 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.362 -1.162 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.423 0.178 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.633 0.707 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.480 -0.145 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.787 -1.473 11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.134 -0.807 12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.186 0.439 11.569 1.00 0.00 H new ATOM 51 N ASN A 4 -0.984 -2.445 8.412 1.00 0.00 N ATOM 52 CA ASN A 4 -0.068 -3.532 8.110 1.00 0.00 C ATOM 53 C ASN A 4 1.229 -2.957 7.540 1.00 0.00 C ATOM 54 O ASN A 4 1.201 -2.168 6.596 1.00 0.00 O ATOM 55 CB ASN A 4 -0.664 -4.481 7.068 1.00 0.00 C ATOM 56 CG ASN A 4 -0.997 -5.839 7.688 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.811 -6.886 7.090 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.497 -5.764 8.918 1.00 0.00 N ATOM 0 H ASN A 4 -0.823 -1.591 7.878 1.00 0.00 H new ATOM 0 HA ASN A 4 0.119 -4.082 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.566 -4.040 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.041 -4.615 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.750 -6.616 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.627 -4.855 9.361 1.00 0.00 H new ATOM 65 N SER A 5 2.337 -3.374 8.136 1.00 0.00 N ATOM 66 CA SER A 5 3.642 -2.910 7.699 1.00 0.00 C ATOM 67 C SER A 5 4.299 -3.963 6.804 1.00 0.00 C ATOM 68 O SER A 5 3.966 -5.144 6.882 1.00 0.00 O ATOM 69 CB SER A 5 4.543 -2.593 8.894 1.00 0.00 C ATOM 70 OG SER A 5 3.854 -2.734 10.134 1.00 0.00 O ATOM 0 H SER A 5 2.357 -4.028 8.918 1.00 0.00 H new ATOM 0 HA SER A 5 3.505 -1.991 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.408 -3.256 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.921 -1.575 8.803 1.00 0.00 H new ATOM 0 HG SER A 5 4.463 -2.525 10.872 1.00 0.00 H new ATOM 76 N TYR A 6 5.221 -3.496 5.974 1.00 0.00 N ATOM 77 CA TYR A 6 5.928 -4.383 5.066 1.00 0.00 C ATOM 78 C TYR A 6 7.286 -3.797 4.674 1.00 0.00 C ATOM 79 O TYR A 6 7.643 -2.702 5.107 1.00 0.00 O ATOM 80 CB TYR A 6 5.053 -4.491 3.816 1.00 0.00 C ATOM 81 CG TYR A 6 3.643 -5.019 4.087 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.471 -6.247 4.693 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.543 -4.267 3.727 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.144 -6.744 4.948 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.216 -4.764 3.982 1.00 0.00 C ATOM 86 CZ TYR A 6 1.082 -5.978 4.580 1.00 0.00 C ATOM 87 OH TYR A 6 -0.172 -6.448 4.822 1.00 0.00 O ATOM 0 H TYR A 6 5.494 -2.515 5.912 1.00 0.00 H new ATOM 0 HA TYR A 6 6.107 -5.350 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.979 -3.508 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.544 -5.147 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.332 -6.835 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.678 -3.306 3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.995 -7.704 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.347 -4.186 3.705 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.218 -6.804 5.734 1.00 0.00 H new ATOM 97 N VAL A 7 8.007 -4.552 3.858 1.00 0.00 N ATOM 98 CA VAL A 7 9.318 -4.121 3.403 1.00 0.00 C ATOM 99 C VAL A 7 9.396 -4.261 1.881 1.00 0.00 C ATOM 100 O VAL A 7 8.948 -5.261 1.322 1.00 0.00 O ATOM 101 CB VAL A 7 10.409 -4.907 4.132 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.806 -6.044 4.960 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.453 -5.439 3.148 1.00 0.00 C ATOM 0 H VAL A 7 7.708 -5.459 3.500 1.00 0.00 H new ATOM 0 HA VAL A 7 9.479 -3.070 3.642 1.00 0.00 H new ATOM 0 HB VAL A 7 10.912 -4.224 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.603 -6.587 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.120 -5.631 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.265 -6.725 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.217 -5.994 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.970 -6.099 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.916 -4.604 2.623 1.00 0.00 H new ATOM 113 N ILE A 8 9.968 -3.244 1.254 1.00 0.00 N ATOM 114 CA ILE A 8 10.111 -3.241 -0.192 1.00 0.00 C ATOM 115 C ILE A 8 11.331 -4.078 -0.582 1.00 0.00 C ATOM 116 O ILE A 8 12.414 -3.898 -0.027 1.00 0.00 O ATOM 117 CB ILE A 8 10.154 -1.807 -0.724 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.888 -1.040 -0.336 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.394 -1.790 -2.235 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.632 -1.795 -0.777 1.00 0.00 C ATOM 0 H ILE A 8 10.338 -2.416 1.721 1.00 0.00 H new ATOM 0 HA ILE A 8 9.243 -3.704 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 8 10.996 -1.295 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.866 -0.890 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.902 -0.052 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.420 -0.759 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.345 -2.274 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.588 -2.325 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.747 -1.228 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.645 -1.922 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.608 -2.773 -0.297 1.00 0.00 H new ATOM 132 N ILE A 9 11.114 -4.976 -1.532 1.00 0.00 N ATOM 133 CA ILE A 9 12.183 -5.841 -2.002 1.00 0.00 C ATOM 134 C ILE A 9 12.319 -5.698 -3.519 1.00 0.00 C ATOM 135 O ILE A 9 13.186 -6.322 -4.129 1.00 0.00 O ATOM 136 CB ILE A 9 11.950 -7.280 -1.538 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.729 -7.889 -2.230 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.841 -7.354 -0.013 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.776 -9.417 -2.181 1.00 0.00 C ATOM 0 H ILE A 9 10.214 -5.123 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 9 13.136 -5.540 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 9 12.815 -7.876 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.818 -7.534 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.691 -7.556 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.676 -8.388 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.764 -6.987 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.006 -6.739 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.897 -9.824 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.675 -9.770 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.790 -9.747 -1.142 1.00 0.00 H new ATOM 151 N ASP A 10 11.450 -4.873 -4.084 1.00 0.00 N ATOM 152 CA ASP A 10 11.462 -4.640 -5.518 1.00 0.00 C ATOM 153 C ASP A 10 12.305 -3.400 -5.822 1.00 0.00 C ATOM 154 O ASP A 10 12.041 -2.321 -5.294 1.00 0.00 O ATOM 155 CB ASP A 10 10.049 -4.393 -6.048 1.00 0.00 C ATOM 156 CG ASP A 10 9.960 -4.120 -7.551 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.864 -3.961 -8.108 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.094 -4.072 -8.164 1.00 0.00 O ATOM 0 H ASP A 10 10.733 -4.357 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 10 11.878 -5.525 -6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.433 -5.261 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.620 -3.545 -5.514 1.00 0.00 H new ATOM 164 N GLU A 11 13.303 -3.596 -6.673 1.00 0.00 N ATOM 165 CA GLU A 11 14.186 -2.507 -7.053 1.00 0.00 C ATOM 166 C GLU A 11 13.429 -1.481 -7.899 1.00 0.00 C ATOM 167 O GLU A 11 13.959 -0.415 -8.210 1.00 0.00 O ATOM 168 CB GLU A 11 15.415 -3.032 -7.798 1.00 0.00 C ATOM 169 CG GLU A 11 15.146 -3.128 -9.301 1.00 0.00 C ATOM 170 CD GLU A 11 15.370 -1.778 -9.986 1.00 0.00 C ATOM 171 OE1 GLU A 11 16.219 -0.991 -9.540 1.00 0.00 O ATOM 172 OE2 GLU A 11 14.627 -1.559 -11.017 1.00 0.00 O ATOM 0 H GLU A 11 13.519 -4.492 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 11 14.535 -2.014 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.263 -2.371 -7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.688 -4.014 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.801 -3.878 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.122 -3.460 -9.470 1.00 0.00 H new ATOM 180 N THR A 12 12.202 -1.838 -8.248 1.00 0.00 N ATOM 181 CA THR A 12 11.367 -0.962 -9.052 1.00 0.00 C ATOM 182 C THR A 12 10.569 -0.014 -8.155 1.00 0.00 C ATOM 183 O THR A 12 10.007 0.971 -8.630 1.00 0.00 O ATOM 184 CB THR A 12 10.487 -1.837 -9.946 1.00 0.00 C ATOM 185 OG1 THR A 12 11.417 -2.591 -10.719 1.00 0.00 O ATOM 186 CG2 THR A 12 9.713 -1.022 -10.985 1.00 0.00 C ATOM 0 H THR A 12 11.766 -2.723 -7.988 1.00 0.00 H new ATOM 0 HA THR A 12 11.971 -0.320 -9.694 1.00 0.00 H new ATOM 0 HB THR A 12 9.785 -2.396 -9.327 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.699 -3.381 -10.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.105 -1.692 -11.593 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.067 -0.305 -10.478 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.415 -0.488 -11.625 1.00 0.00 H new ATOM 194 N GLY A 13 10.546 -0.345 -6.872 1.00 0.00 N ATOM 195 CA GLY A 13 9.826 0.464 -5.903 1.00 0.00 C ATOM 196 C GLY A 13 8.361 0.635 -6.312 1.00 0.00 C ATOM 197 O GLY A 13 8.070 1.180 -7.375 1.00 0.00 O ATOM 0 H GLY A 13 11.014 -1.162 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.881 -0.005 -4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.300 1.442 -5.817 1.00 0.00 H new ATOM 201 N ILE A 14 7.479 0.159 -5.446 1.00 0.00 N ATOM 202 CA ILE A 14 6.052 0.253 -5.703 1.00 0.00 C ATOM 203 C ILE A 14 5.791 1.382 -6.701 1.00 0.00 C ATOM 204 O ILE A 14 5.969 2.556 -6.377 1.00 0.00 O ATOM 205 CB ILE A 14 5.280 0.401 -4.391 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.424 -0.837 -4.115 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.448 1.685 -4.386 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.027 -0.684 -4.720 1.00 0.00 C ATOM 0 H ILE A 14 7.725 -0.293 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 14 5.686 -0.667 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 14 6.002 0.481 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.910 -1.720 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.343 -0.995 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.909 1.766 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.107 2.546 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.735 1.660 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.439 -1.578 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.535 0.185 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.110 -0.550 -5.799 1.00 0.00 H new ATOM 220 N HIS A 15 5.374 0.989 -7.896 1.00 0.00 N ATOM 221 CA HIS A 15 5.087 1.954 -8.944 1.00 0.00 C ATOM 222 C HIS A 15 3.577 2.025 -9.176 1.00 0.00 C ATOM 223 O HIS A 15 2.797 1.521 -8.369 1.00 0.00 O ATOM 224 CB HIS A 15 5.868 1.621 -10.217 1.00 0.00 C ATOM 225 CG HIS A 15 6.185 0.154 -10.377 1.00 0.00 C ATOM 226 ND1 HIS A 15 6.923 -0.689 -9.598 1.00 0.00 N flip ATOM 227 CD2 HIS A 15 5.724 -0.602 -11.441 1.00 0.00 C flip ATOM 228 CE1 HIS A 15 6.912 -1.893 -10.155 1.00 0.00 C flip ATOM 229 NE2 HIS A 15 6.170 -1.841 -11.298 1.00 0.00 N flip ATOM 0 H HIS A 15 5.228 0.015 -8.162 1.00 0.00 H new ATOM 0 HA HIS A 15 5.418 2.945 -8.633 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.293 1.954 -11.081 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.800 2.186 -10.217 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.402 -0.436 -8.734 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.106 -0.243 -12.250 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.409 -2.770 -9.767 1.00 0.00 H new ATOM 237 N ALA A 16 3.209 2.655 -10.282 1.00 0.00 N ATOM 238 CA ALA A 16 1.806 2.799 -10.630 1.00 0.00 C ATOM 239 C ALA A 16 1.222 1.423 -10.956 1.00 0.00 C ATOM 240 O ALA A 16 0.026 1.196 -10.782 1.00 0.00 O ATOM 241 CB ALA A 16 1.667 3.782 -11.794 1.00 0.00 C ATOM 0 H ALA A 16 3.859 3.072 -10.949 1.00 0.00 H new ATOM 0 HA ALA A 16 1.242 3.206 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.614 3.890 -12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.070 4.752 -11.501 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.218 3.406 -12.656 1.00 0.00 H new ATOM 247 N ARG A 17 2.094 0.542 -11.423 1.00 0.00 N ATOM 248 CA ARG A 17 1.680 -0.806 -11.774 1.00 0.00 C ATOM 249 C ARG A 17 1.015 -1.487 -10.576 1.00 0.00 C ATOM 250 O ARG A 17 -0.175 -1.795 -10.614 1.00 0.00 O ATOM 251 CB ARG A 17 2.873 -1.647 -12.232 1.00 0.00 C ATOM 252 CG ARG A 17 2.781 -1.962 -13.727 1.00 0.00 C ATOM 253 CD ARG A 17 3.588 -3.214 -14.074 1.00 0.00 C ATOM 254 NE ARG A 17 2.790 -4.104 -14.947 1.00 0.00 N ATOM 255 CZ ARG A 17 3.210 -5.298 -15.388 1.00 0.00 C ATOM 256 NH1 ARG A 17 4.422 -5.752 -15.040 1.00 0.00 N ATOM 257 NH2 ARG A 17 2.419 -6.037 -16.177 1.00 0.00 N ATOM 0 H ARG A 17 3.085 0.735 -11.567 1.00 0.00 H new ATOM 0 HA ARG A 17 0.967 -0.730 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.800 -1.112 -12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.908 -2.576 -11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.738 -2.108 -14.008 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.151 -1.115 -14.304 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.514 -2.933 -14.576 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.868 -3.741 -13.162 1.00 0.00 H new ATOM 0 HE ARG A 17 1.862 -3.789 -15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.024 -5.189 -14.440 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.742 -6.661 -15.375 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.497 -5.691 -16.442 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.739 -6.946 -16.512 1.00 0.00 H new ATOM 271 N PRO A 18 1.834 -1.707 -9.513 1.00 0.00 N ATOM 272 CA PRO A 18 1.337 -2.345 -8.305 1.00 0.00 C ATOM 273 C PRO A 18 0.478 -1.378 -7.488 1.00 0.00 C ATOM 274 O PRO A 18 -0.635 -1.717 -7.089 1.00 0.00 O ATOM 275 CB PRO A 18 2.582 -2.806 -7.564 1.00 0.00 C ATOM 276 CG PRO A 18 3.735 -2.005 -8.147 1.00 0.00 C ATOM 277 CD PRO A 18 3.248 -1.355 -9.432 1.00 0.00 C ATOM 0 HA PRO A 18 0.679 -3.188 -8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.486 -2.630 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.743 -3.876 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.070 -1.247 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.588 -2.654 -8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.386 -0.274 -9.406 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.798 -1.726 -10.297 1.00 0.00 H new ATOM 285 N ALA A 19 1.028 -0.194 -7.262 1.00 0.00 N ATOM 286 CA ALA A 19 0.326 0.824 -6.499 1.00 0.00 C ATOM 287 C ALA A 19 -1.145 0.848 -6.921 1.00 0.00 C ATOM 288 O ALA A 19 -2.017 1.195 -6.126 1.00 0.00 O ATOM 289 CB ALA A 19 1.012 2.177 -6.700 1.00 0.00 C ATOM 0 H ALA A 19 1.952 0.083 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 19 0.360 0.596 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.485 2.941 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.045 2.115 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.995 2.440 -7.758 1.00 0.00 H new ATOM 295 N THR A 20 -1.375 0.474 -8.171 1.00 0.00 N ATOM 296 CA THR A 20 -2.725 0.448 -8.708 1.00 0.00 C ATOM 297 C THR A 20 -3.539 -0.667 -8.050 1.00 0.00 C ATOM 298 O THR A 20 -4.584 -0.409 -7.455 1.00 0.00 O ATOM 299 CB THR A 20 -2.626 0.312 -10.229 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.693 1.654 -10.703 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.858 -0.360 -10.838 1.00 0.00 C ATOM 0 H THR A 20 -0.649 0.186 -8.827 1.00 0.00 H new ATOM 0 HA THR A 20 -3.258 1.372 -8.484 1.00 0.00 H new ATOM 0 HB THR A 20 -1.736 -0.262 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.789 1.978 -10.898 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.736 -0.432 -11.919 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.972 -1.360 -10.419 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.745 0.232 -10.611 1.00 0.00 H new ATOM 309 N MET A 21 -3.029 -1.884 -8.179 1.00 0.00 N ATOM 310 CA MET A 21 -3.696 -3.039 -7.604 1.00 0.00 C ATOM 311 C MET A 21 -3.918 -2.853 -6.101 1.00 0.00 C ATOM 312 O MET A 21 -5.024 -3.059 -5.603 1.00 0.00 O ATOM 313 CB MET A 21 -2.849 -4.290 -7.844 1.00 0.00 C ATOM 314 CG MET A 21 -2.699 -4.572 -9.340 1.00 0.00 C ATOM 315 SD MET A 21 -2.266 -6.284 -9.598 1.00 0.00 S ATOM 316 CE MET A 21 -3.854 -6.936 -10.087 1.00 0.00 C ATOM 0 H MET A 21 -2.162 -2.094 -8.673 1.00 0.00 H new ATOM 0 HA MET A 21 -4.668 -3.150 -8.085 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.865 -4.159 -7.395 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.312 -5.146 -7.353 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.631 -4.342 -9.857 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.931 -3.926 -9.765 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.763 -8.003 -10.288 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.575 -6.778 -9.285 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.195 -6.425 -10.987 1.00 0.00 H new ATOM 326 N LEU A 22 -2.849 -2.466 -5.421 1.00 0.00 N ATOM 327 CA LEU A 22 -2.913 -2.250 -3.986 1.00 0.00 C ATOM 328 C LEU A 22 -3.986 -1.204 -3.679 1.00 0.00 C ATOM 329 O LEU A 22 -4.857 -1.430 -2.840 1.00 0.00 O ATOM 330 CB LEU A 22 -1.531 -1.892 -3.436 1.00 0.00 C ATOM 331 CG LEU A 22 -0.945 -2.863 -2.409 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.066 -3.915 -3.088 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.193 -2.111 -1.309 1.00 0.00 C ATOM 0 H LEU A 22 -1.933 -2.296 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.206 -3.167 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.837 -1.817 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.588 -0.903 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.769 -3.392 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.338 -4.592 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.663 -4.481 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.754 -3.422 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.213 -2.825 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.622 -1.538 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.877 -1.434 -0.798 1.00 0.00 H new ATOM 345 N VAL A 23 -3.889 -0.081 -4.376 1.00 0.00 N ATOM 346 CA VAL A 23 -4.841 1.001 -4.188 1.00 0.00 C ATOM 347 C VAL A 23 -6.242 0.511 -4.560 1.00 0.00 C ATOM 348 O VAL A 23 -7.210 0.794 -3.856 1.00 0.00 O ATOM 349 CB VAL A 23 -4.404 2.228 -4.991 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.607 3.099 -5.360 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.354 3.037 -4.227 1.00 0.00 C ATOM 0 H VAL A 23 -3.166 0.103 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.870 1.307 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.948 1.878 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.269 3.964 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.306 2.518 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.105 3.436 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.060 3.903 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.772 3.371 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.480 2.413 -4.039 1.00 0.00 H new ATOM 361 N GLN A 24 -6.306 -0.215 -5.666 1.00 0.00 N ATOM 362 CA GLN A 24 -7.573 -0.747 -6.140 1.00 0.00 C ATOM 363 C GLN A 24 -8.162 -1.712 -5.110 1.00 0.00 C ATOM 364 O GLN A 24 -9.220 -1.447 -4.540 1.00 0.00 O ATOM 365 CB GLN A 24 -7.407 -1.430 -7.499 1.00 0.00 C ATOM 366 CG GLN A 24 -8.639 -1.209 -8.378 1.00 0.00 C ATOM 367 CD GLN A 24 -8.424 -1.788 -9.779 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.900 -2.860 -10.115 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.684 -1.020 -10.573 1.00 0.00 N ATOM 0 H GLN A 24 -5.501 -0.448 -6.248 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.267 0.083 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.523 -1.038 -8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.245 -2.498 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.508 -1.677 -7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.852 -0.142 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.317 -0.134 -10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.484 -1.317 -11.528 1.00 0.00 H new ATOM 378 N THR A 25 -7.453 -2.811 -4.902 1.00 0.00 N ATOM 379 CA THR A 25 -7.892 -3.817 -3.950 1.00 0.00 C ATOM 380 C THR A 25 -8.127 -3.185 -2.576 1.00 0.00 C ATOM 381 O THR A 25 -8.857 -3.734 -1.753 1.00 0.00 O ATOM 382 CB THR A 25 -6.852 -4.938 -3.932 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.485 -6.011 -4.625 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.612 -5.493 -2.527 1.00 0.00 C ATOM 0 H THR A 25 -6.577 -3.027 -5.377 1.00 0.00 H new ATOM 0 HA THR A 25 -8.849 -4.247 -4.244 1.00 0.00 H new ATOM 0 HB THR A 25 -5.912 -4.566 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.879 -6.780 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.865 -6.286 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.255 -4.695 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.544 -5.895 -2.130 1.00 0.00 H new ATOM 392 N ALA A 26 -7.495 -2.039 -2.372 1.00 0.00 N ATOM 393 CA ALA A 26 -7.626 -1.326 -1.113 1.00 0.00 C ATOM 394 C ALA A 26 -9.048 -0.774 -0.989 1.00 0.00 C ATOM 395 O ALA A 26 -9.815 -1.211 -0.132 1.00 0.00 O ATOM 396 CB ALA A 26 -6.566 -0.226 -1.036 1.00 0.00 C ATOM 0 H ALA A 26 -6.891 -1.586 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.459 -2.000 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.665 0.309 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.573 -0.672 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.704 0.470 -1.863 1.00 0.00 H new ATOM 402 N SER A 27 -9.357 0.177 -1.858 1.00 0.00 N ATOM 403 CA SER A 27 -10.674 0.792 -1.857 1.00 0.00 C ATOM 404 C SER A 27 -11.714 -0.197 -2.386 1.00 0.00 C ATOM 405 O SER A 27 -12.824 -0.276 -1.861 1.00 0.00 O ATOM 406 CB SER A 27 -10.684 2.072 -2.696 1.00 0.00 C ATOM 407 OG SER A 27 -10.864 3.235 -1.893 1.00 0.00 O ATOM 0 H SER A 27 -8.719 0.537 -2.567 1.00 0.00 H new ATOM 0 HA SER A 27 -10.926 1.060 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.746 2.153 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.483 2.015 -3.435 1.00 0.00 H new ATOM 0 HG SER A 27 -10.863 4.031 -2.465 1.00 0.00 H new ATOM 413 N LYS A 28 -11.319 -0.927 -3.419 1.00 0.00 N ATOM 414 CA LYS A 28 -12.204 -1.908 -4.024 1.00 0.00 C ATOM 415 C LYS A 28 -13.089 -2.527 -2.941 1.00 0.00 C ATOM 416 O LYS A 28 -14.251 -2.844 -3.191 1.00 0.00 O ATOM 417 CB LYS A 28 -11.398 -2.936 -4.821 1.00 0.00 C ATOM 418 CG LYS A 28 -10.996 -2.377 -6.188 1.00 0.00 C ATOM 419 CD LYS A 28 -12.198 -2.317 -7.132 1.00 0.00 C ATOM 420 CE LYS A 28 -11.762 -2.493 -8.587 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.875 -3.670 -8.724 1.00 0.00 N ATOM 0 H LYS A 28 -10.398 -0.859 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.868 -1.429 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.505 -3.216 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.988 -3.843 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.574 -1.379 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.217 -3.001 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.913 -3.096 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.709 -1.362 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.639 -2.615 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.243 -1.597 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.963 -3.373 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.718 -4.097 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.319 -4.368 -9.354 1.00 0.00 H new ATOM 435 N PHE A 29 -12.507 -2.679 -1.761 1.00 0.00 N ATOM 436 CA PHE A 29 -13.229 -3.254 -0.639 1.00 0.00 C ATOM 437 C PHE A 29 -14.277 -2.277 -0.102 1.00 0.00 C ATOM 438 O PHE A 29 -15.457 -2.384 -0.431 1.00 0.00 O ATOM 439 CB PHE A 29 -12.200 -3.534 0.459 1.00 0.00 C ATOM 440 CG PHE A 29 -11.400 -4.821 0.248 1.00 0.00 C ATOM 441 CD1 PHE A 29 -10.829 -5.076 -0.960 1.00 0.00 C ATOM 442 CD2 PHE A 29 -11.258 -5.709 1.268 1.00 0.00 C ATOM 443 CE1 PHE A 29 -10.086 -6.270 -1.156 1.00 0.00 C ATOM 444 CE2 PHE A 29 -10.515 -6.903 1.072 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.945 -7.159 -0.136 1.00 0.00 C ATOM 0 H PHE A 29 -11.543 -2.414 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.745 -4.161 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.508 -2.694 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.714 -3.591 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.941 -4.370 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.710 -5.506 2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.633 -6.472 -2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.402 -7.608 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.381 -8.068 -0.285 1.00 0.00 H new ATOM 455 N ASP A 30 -13.807 -1.346 0.716 1.00 0.00 N ATOM 456 CA ASP A 30 -14.689 -0.351 1.301 1.00 0.00 C ATOM 457 C ASP A 30 -13.933 0.417 2.388 1.00 0.00 C ATOM 458 O ASP A 30 -13.771 1.633 2.295 1.00 0.00 O ATOM 459 CB ASP A 30 -15.909 -1.008 1.948 1.00 0.00 C ATOM 460 CG ASP A 30 -16.682 -0.118 2.924 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.665 -0.343 4.143 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.330 0.854 2.378 1.00 0.00 O ATOM 0 H ASP A 30 -12.827 -1.260 0.987 1.00 0.00 H new ATOM 0 HA ASP A 30 -15.019 0.317 0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.588 -1.333 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.583 -1.904 2.477 1.00 0.00 H new ATOM 468 N SER A 31 -13.492 -0.324 3.393 1.00 0.00 N ATOM 469 CA SER A 31 -12.758 0.271 4.497 1.00 0.00 C ATOM 470 C SER A 31 -11.861 1.398 3.981 1.00 0.00 C ATOM 471 O SER A 31 -11.515 1.430 2.801 1.00 0.00 O ATOM 472 CB SER A 31 -11.922 -0.778 5.232 1.00 0.00 C ATOM 473 OG SER A 31 -12.512 -2.073 5.166 1.00 0.00 O ATOM 0 H SER A 31 -13.629 -1.332 3.466 1.00 0.00 H new ATOM 0 HA SER A 31 -13.478 0.683 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.922 -0.813 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.808 -0.484 6.275 1.00 0.00 H new ATOM 0 HG SER A 31 -13.454 -1.991 4.908 1.00 0.00 H new ATOM 479 N ASP A 32 -11.510 2.296 4.890 1.00 0.00 N ATOM 480 CA ASP A 32 -10.660 3.421 4.541 1.00 0.00 C ATOM 481 C ASP A 32 -9.199 3.053 4.810 1.00 0.00 C ATOM 482 O ASP A 32 -8.663 3.363 5.873 1.00 0.00 O ATOM 483 CB ASP A 32 -11.000 4.651 5.385 1.00 0.00 C ATOM 484 CG ASP A 32 -12.473 5.065 5.359 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.183 4.838 4.369 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.893 5.652 6.429 1.00 0.00 O ATOM 0 H ASP A 32 -11.799 2.267 5.868 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.820 3.651 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.711 4.456 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.396 5.490 5.038 1.00 0.00 H new ATOM 492 N ILE A 33 -8.597 2.398 3.828 1.00 0.00 N ATOM 493 CA ILE A 33 -7.209 1.985 3.946 1.00 0.00 C ATOM 494 C ILE A 33 -6.299 3.161 3.586 1.00 0.00 C ATOM 495 O ILE A 33 -6.631 3.964 2.715 1.00 0.00 O ATOM 496 CB ILE A 33 -6.951 0.729 3.110 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.905 -0.399 3.506 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.486 0.300 3.203 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.634 -0.957 2.282 1.00 0.00 C ATOM 0 H ILE A 33 -9.045 2.143 2.948 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.980 1.708 4.975 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.151 0.967 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.347 -1.197 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.632 -0.028 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.330 -0.595 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.848 1.103 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.235 0.086 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.306 -1.757 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.211 -0.162 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.906 -1.349 1.572 1.00 0.00 H new ATOM 511 N GLN A 34 -5.169 3.225 4.275 1.00 0.00 N ATOM 512 CA GLN A 34 -4.208 4.290 4.039 1.00 0.00 C ATOM 513 C GLN A 34 -2.797 3.712 3.907 1.00 0.00 C ATOM 514 O GLN A 34 -2.468 2.717 4.551 1.00 0.00 O ATOM 515 CB GLN A 34 -4.269 5.339 5.150 1.00 0.00 C ATOM 516 CG GLN A 34 -2.900 5.523 5.807 1.00 0.00 C ATOM 517 CD GLN A 34 -2.917 6.693 6.793 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.804 6.527 7.996 1.00 0.00 O ATOM 519 NE2 GLN A 34 -3.064 7.883 6.217 1.00 0.00 N ATOM 0 H GLN A 34 -4.897 2.557 4.996 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.466 4.785 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.610 6.289 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.999 5.036 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.617 4.608 6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.146 5.700 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.153 7.951 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.087 8.727 6.789 1.00 0.00 H new ATOM 528 N LEU A 35 -2.003 4.361 3.069 1.00 0.00 N ATOM 529 CA LEU A 35 -0.635 3.925 2.844 1.00 0.00 C ATOM 530 C LEU A 35 0.304 4.715 3.757 1.00 0.00 C ATOM 531 O LEU A 35 0.039 5.874 4.073 1.00 0.00 O ATOM 532 CB LEU A 35 -0.278 4.024 1.360 1.00 0.00 C ATOM 533 CG LEU A 35 0.852 3.110 0.880 1.00 0.00 C ATOM 534 CD1 LEU A 35 0.967 3.137 -0.646 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.174 3.468 1.561 1.00 0.00 C ATOM 0 H LEU A 35 -2.281 5.186 2.537 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.523 2.873 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.171 3.802 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.002 5.056 1.141 1.00 0.00 H new ATOM 0 HG LEU A 35 0.610 2.087 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.777 2.479 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.030 2.797 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.176 4.154 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.960 2.803 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.436 4.500 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.069 3.356 2.640 1.00 0.00 H new ATOM 547 N GLU A 36 1.383 4.057 4.156 1.00 0.00 N ATOM 548 CA GLU A 36 2.363 4.684 5.026 1.00 0.00 C ATOM 549 C GLU A 36 3.774 4.222 4.656 1.00 0.00 C ATOM 550 O GLU A 36 3.966 3.087 4.222 1.00 0.00 O ATOM 551 CB GLU A 36 2.058 4.390 6.496 1.00 0.00 C ATOM 552 CG GLU A 36 3.236 4.783 7.390 1.00 0.00 C ATOM 553 CD GLU A 36 2.998 4.342 8.836 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.630 5.168 9.684 1.00 0.00 O ATOM 555 OE2 GLU A 36 3.209 3.090 9.065 1.00 0.00 O ATOM 0 H GLU A 36 1.600 3.096 3.893 1.00 0.00 H new ATOM 0 HA GLU A 36 2.307 5.763 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.166 4.937 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.840 3.329 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.151 4.327 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.380 5.863 7.354 1.00 0.00 H new ATOM 563 N TYR A 37 4.726 5.125 4.842 1.00 0.00 N ATOM 564 CA TYR A 37 6.113 4.824 4.533 1.00 0.00 C ATOM 565 C TYR A 37 7.060 5.683 5.374 1.00 0.00 C ATOM 566 O TYR A 37 7.156 6.892 5.168 1.00 0.00 O ATOM 567 CB TYR A 37 6.302 5.175 3.056 1.00 0.00 C ATOM 568 CG TYR A 37 7.744 5.040 2.564 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.536 4.007 3.022 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.254 5.951 1.661 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.894 3.880 2.559 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.611 5.824 1.198 1.00 0.00 C ATOM 573 CZ TYR A 37 10.364 4.795 1.670 1.00 0.00 C ATOM 574 OH TYR A 37 11.646 4.675 1.232 1.00 0.00 O ATOM 0 H TYR A 37 4.564 6.065 5.203 1.00 0.00 H new ATOM 0 HA TYR A 37 6.336 3.778 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.662 4.529 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.967 6.199 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.137 3.293 3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.635 6.759 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.524 3.076 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.022 6.530 0.492 1.00 0.00 H new ATOM 0 HH TYR A 37 11.845 5.397 0.600 1.00 0.00 H new ATOM 584 N ASN A 38 7.736 5.024 6.304 1.00 0.00 N ATOM 585 CA ASN A 38 8.673 5.712 7.177 1.00 0.00 C ATOM 586 C ASN A 38 7.989 6.937 7.787 1.00 0.00 C ATOM 587 O ASN A 38 8.513 8.047 7.710 1.00 0.00 O ATOM 588 CB ASN A 38 9.899 6.193 6.399 1.00 0.00 C ATOM 589 CG ASN A 38 9.493 7.132 5.261 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.650 6.610 4.047 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 9.065 8.255 5.470 1.00 0.00 N flip ATOM 0 H ASN A 38 7.654 4.021 6.472 1.00 0.00 H new ATOM 0 HA ASN A 38 8.989 5.013 7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.583 6.708 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.436 5.336 5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.969 8.594 6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.803 8.855 4.688 1.00 0.00 H new ATOM 598 N GLY A 39 6.829 6.693 8.379 1.00 0.00 N ATOM 599 CA GLY A 39 6.068 7.763 9.003 1.00 0.00 C ATOM 600 C GLY A 39 5.383 8.635 7.948 1.00 0.00 C ATOM 601 O GLY A 39 4.766 9.647 8.280 1.00 0.00 O ATOM 0 H GLY A 39 6.398 5.771 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.319 7.339 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.730 8.377 9.614 1.00 0.00 H new ATOM 605 N LYS A 40 5.514 8.212 6.700 1.00 0.00 N ATOM 606 CA LYS A 40 4.916 8.941 5.595 1.00 0.00 C ATOM 607 C LYS A 40 3.616 8.251 5.178 1.00 0.00 C ATOM 608 O LYS A 40 3.626 7.365 4.324 1.00 0.00 O ATOM 609 CB LYS A 40 5.921 9.103 4.453 1.00 0.00 C ATOM 610 CG LYS A 40 6.089 10.576 4.075 1.00 0.00 C ATOM 611 CD LYS A 40 7.129 11.256 4.968 1.00 0.00 C ATOM 612 CE LYS A 40 7.325 12.719 4.565 1.00 0.00 C ATOM 613 NZ LYS A 40 8.345 12.830 3.499 1.00 0.00 N ATOM 0 H LYS A 40 6.026 7.373 6.429 1.00 0.00 H new ATOM 0 HA LYS A 40 4.655 9.953 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.884 8.688 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.584 8.537 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.393 10.655 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.133 11.090 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.811 11.201 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.078 10.725 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.380 13.136 4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.632 13.303 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.466 13.829 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.250 12.450 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.037 12.289 2.666 1.00 0.00 H new ATOM 627 N LYS A 41 2.528 8.682 5.800 1.00 0.00 N ATOM 628 CA LYS A 41 1.223 8.116 5.503 1.00 0.00 C ATOM 629 C LYS A 41 0.584 8.894 4.352 1.00 0.00 C ATOM 630 O LYS A 41 0.827 10.090 4.196 1.00 0.00 O ATOM 631 CB LYS A 41 0.361 8.067 6.766 1.00 0.00 C ATOM 632 CG LYS A 41 1.116 7.403 7.920 1.00 0.00 C ATOM 633 CD LYS A 41 2.055 8.398 8.605 1.00 0.00 C ATOM 634 CE LYS A 41 1.906 8.334 10.127 1.00 0.00 C ATOM 635 NZ LYS A 41 0.834 9.248 10.581 1.00 0.00 N ATOM 0 H LYS A 41 2.524 9.416 6.508 1.00 0.00 H new ATOM 0 HA LYS A 41 1.322 7.082 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.070 9.078 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.557 7.516 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.405 7.010 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.690 6.556 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.086 8.180 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.837 9.408 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.676 7.314 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.849 8.605 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.746 9.193 11.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.069 10.223 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.067 8.972 10.141 1.00 0.00 H new ATOM 649 N VAL A 42 -0.222 8.185 3.575 1.00 0.00 N ATOM 650 CA VAL A 42 -0.898 8.795 2.443 1.00 0.00 C ATOM 651 C VAL A 42 -2.222 8.070 2.195 1.00 0.00 C ATOM 652 O VAL A 42 -2.659 7.267 3.018 1.00 0.00 O ATOM 653 CB VAL A 42 0.023 8.794 1.221 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.491 8.696 1.641 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.348 7.666 0.256 1.00 0.00 C ATOM 0 H VAL A 42 -0.422 7.194 3.707 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.133 9.838 2.655 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.113 9.741 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.124 8.697 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.747 9.548 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.649 7.773 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.322 7.688 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.255 6.707 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.376 7.799 -0.081 1.00 0.00 H new ATOM 665 N ASN A 43 -2.825 8.379 1.056 1.00 0.00 N ATOM 666 CA ASN A 43 -4.090 7.767 0.689 1.00 0.00 C ATOM 667 C ASN A 43 -3.823 6.532 -0.175 1.00 0.00 C ATOM 668 O ASN A 43 -3.280 6.643 -1.273 1.00 0.00 O ATOM 669 CB ASN A 43 -4.954 8.733 -0.124 1.00 0.00 C ATOM 670 CG ASN A 43 -6.305 8.964 0.556 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.290 8.214 0.071 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.444 9.771 1.461 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.460 9.045 0.375 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.613 7.499 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.433 9.684 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.111 8.332 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.645 10.315 1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.359 9.901 1.892 1.00 0.00 H new ATOM 679 N LEU A 44 -4.217 5.383 0.355 1.00 0.00 N ATOM 680 CA LEU A 44 -4.027 4.129 -0.354 1.00 0.00 C ATOM 681 C LEU A 44 -5.102 3.990 -1.434 1.00 0.00 C ATOM 682 O LEU A 44 -5.405 2.882 -1.875 1.00 0.00 O ATOM 683 CB LEU A 44 -3.990 2.958 0.630 1.00 0.00 C ATOM 684 CG LEU A 44 -3.889 1.563 0.010 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.098 1.601 -1.299 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.301 0.561 1.006 1.00 0.00 C ATOM 0 H LEU A 44 -4.667 5.294 1.266 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.062 4.121 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.141 3.099 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.890 2.997 1.244 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.896 1.223 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.041 0.597 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.597 2.263 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.091 1.971 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.240 -0.422 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.303 0.885 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.940 0.506 1.887 1.00 0.00 H new ATOM 698 N LYS A 45 -5.649 5.130 -1.829 1.00 0.00 N ATOM 699 CA LYS A 45 -6.684 5.150 -2.849 1.00 0.00 C ATOM 700 C LYS A 45 -6.231 6.036 -4.011 1.00 0.00 C ATOM 701 O LYS A 45 -6.990 6.269 -4.951 1.00 0.00 O ATOM 702 CB LYS A 45 -8.025 5.567 -2.243 1.00 0.00 C ATOM 703 CG LYS A 45 -8.021 5.386 -0.724 1.00 0.00 C ATOM 704 CD LYS A 45 -8.357 3.943 -0.343 1.00 0.00 C ATOM 705 CE LYS A 45 -9.328 3.900 0.839 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.412 2.925 0.585 1.00 0.00 N ATOM 0 H LYS A 45 -5.395 6.047 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.841 4.150 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.230 6.609 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.827 4.973 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.042 5.653 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.745 6.063 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.797 3.430 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.442 3.408 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.792 3.628 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.753 4.890 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.149 3.028 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.824 3.101 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.026 1.960 0.618 1.00 0.00 H new ATOM 720 N SER A 46 -4.997 6.507 -3.908 1.00 0.00 N ATOM 721 CA SER A 46 -4.435 7.363 -4.939 1.00 0.00 C ATOM 722 C SER A 46 -3.023 6.894 -5.297 1.00 0.00 C ATOM 723 O SER A 46 -2.249 6.518 -4.418 1.00 0.00 O ATOM 724 CB SER A 46 -4.409 8.825 -4.487 1.00 0.00 C ATOM 725 OG SER A 46 -4.352 9.724 -5.591 1.00 0.00 O ATOM 0 H SER A 46 -4.371 6.312 -3.127 1.00 0.00 H new ATOM 0 HA SER A 46 -5.069 7.295 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.298 9.037 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.547 8.989 -3.841 1.00 0.00 H new ATOM 0 HG SER A 46 -4.339 10.647 -5.261 1.00 0.00 H new ATOM 731 N ILE A 47 -2.732 6.930 -6.589 1.00 0.00 N ATOM 732 CA ILE A 47 -1.427 6.513 -7.073 1.00 0.00 C ATOM 733 C ILE A 47 -0.422 7.647 -6.860 1.00 0.00 C ATOM 734 O ILE A 47 0.630 7.443 -6.256 1.00 0.00 O ATOM 735 CB ILE A 47 -1.521 6.040 -8.526 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.931 4.637 -8.685 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.868 7.048 -9.474 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.627 3.641 -7.755 1.00 0.00 C ATOM 0 H ILE A 47 -3.377 7.241 -7.315 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.066 5.656 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.575 5.979 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.037 4.309 -9.719 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.136 4.660 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.949 6.688 -10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.373 8.010 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.184 7.165 -9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.189 2.652 -7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.499 3.959 -6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.690 3.602 -7.994 1.00 0.00 H new ATOM 750 N MET A 48 -0.781 8.817 -7.367 1.00 0.00 N ATOM 751 CA MET A 48 0.076 9.983 -7.239 1.00 0.00 C ATOM 752 C MET A 48 0.774 10.003 -5.878 1.00 0.00 C ATOM 753 O MET A 48 1.895 10.496 -5.759 1.00 0.00 O ATOM 754 CB MET A 48 -0.762 11.253 -7.402 1.00 0.00 C ATOM 755 CG MET A 48 -1.186 11.446 -8.859 1.00 0.00 C ATOM 756 SD MET A 48 -0.568 13.004 -9.474 1.00 0.00 S ATOM 757 CE MET A 48 -1.941 13.499 -10.501 1.00 0.00 C ATOM 0 H MET A 48 -1.654 8.983 -7.867 1.00 0.00 H new ATOM 0 HA MET A 48 0.838 9.938 -8.017 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.646 11.194 -6.767 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.188 12.117 -7.069 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.804 10.628 -9.469 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.273 11.421 -8.936 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.720 14.460 -10.965 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.104 12.750 -11.276 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.839 13.589 -9.889 1.00 0.00 H new ATOM 767 N GLY A 49 0.083 9.462 -4.885 1.00 0.00 N ATOM 768 CA GLY A 49 0.623 9.412 -3.537 1.00 0.00 C ATOM 769 C GLY A 49 1.513 8.182 -3.349 1.00 0.00 C ATOM 770 O GLY A 49 2.657 8.300 -2.912 1.00 0.00 O ATOM 0 H GLY A 49 -0.846 9.054 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.199 10.316 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.193 9.389 -2.815 1.00 0.00 H new ATOM 774 N VAL A 50 0.955 7.029 -3.688 1.00 0.00 N ATOM 775 CA VAL A 50 1.683 5.779 -3.562 1.00 0.00 C ATOM 776 C VAL A 50 2.940 5.836 -4.432 1.00 0.00 C ATOM 777 O VAL A 50 3.958 5.230 -4.100 1.00 0.00 O ATOM 778 CB VAL A 50 0.769 4.602 -3.909 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.539 3.281 -3.879 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.441 4.554 -2.973 1.00 0.00 C ATOM 0 H VAL A 50 0.006 6.935 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 50 2.006 5.629 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 50 0.402 4.751 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.865 2.461 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.352 3.317 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.949 3.122 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.075 3.709 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.101 4.441 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.011 5.479 -3.067 1.00 0.00 H new ATOM 790 N MET A 51 2.828 6.569 -5.530 1.00 0.00 N ATOM 791 CA MET A 51 3.943 6.713 -6.451 1.00 0.00 C ATOM 792 C MET A 51 4.991 7.680 -5.896 1.00 0.00 C ATOM 793 O MET A 51 6.182 7.372 -5.888 1.00 0.00 O ATOM 794 CB MET A 51 3.430 7.232 -7.796 1.00 0.00 C ATOM 795 CG MET A 51 2.436 6.251 -8.420 1.00 0.00 C ATOM 796 SD MET A 51 2.369 6.490 -10.187 1.00 0.00 S ATOM 797 CE MET A 51 4.108 6.401 -10.579 1.00 0.00 C ATOM 0 H MET A 51 1.982 7.070 -5.803 1.00 0.00 H new ATOM 0 HA MET A 51 4.410 5.737 -6.582 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.951 8.201 -7.657 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.269 7.386 -8.474 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.733 5.227 -8.194 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.447 6.399 -7.987 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.236 5.955 -11.565 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.533 7.405 -10.577 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.618 5.789 -9.835 1.00 0.00 H new ATOM 807 N SER A 52 4.510 8.829 -5.447 1.00 0.00 N ATOM 808 CA SER A 52 5.390 9.843 -4.891 1.00 0.00 C ATOM 809 C SER A 52 5.829 9.440 -3.482 1.00 0.00 C ATOM 810 O SER A 52 6.464 10.224 -2.778 1.00 0.00 O ATOM 811 CB SER A 52 4.707 11.211 -4.864 1.00 0.00 C ATOM 812 OG SER A 52 4.320 11.641 -6.166 1.00 0.00 O ATOM 0 H SER A 52 3.522 9.081 -5.457 1.00 0.00 H new ATOM 0 HA SER A 52 6.270 9.920 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.828 11.164 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.383 11.945 -4.426 1.00 0.00 H new ATOM 0 HG SER A 52 3.395 11.368 -6.339 1.00 0.00 H new ATOM 818 N LEU A 53 5.472 8.219 -3.112 1.00 0.00 N ATOM 819 CA LEU A 53 5.821 7.703 -1.800 1.00 0.00 C ATOM 820 C LEU A 53 7.237 7.125 -1.843 1.00 0.00 C ATOM 821 O LEU A 53 7.695 6.520 -0.875 1.00 0.00 O ATOM 822 CB LEU A 53 4.765 6.706 -1.318 1.00 0.00 C ATOM 823 CG LEU A 53 3.744 7.243 -0.313 1.00 0.00 C ATOM 824 CD1 LEU A 53 2.879 6.113 0.248 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.433 8.041 0.795 1.00 0.00 C ATOM 0 H LEU A 53 4.944 7.572 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 53 5.827 8.507 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.226 6.330 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.276 5.855 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 53 3.078 7.928 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.162 6.523 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.344 5.626 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.514 5.384 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.685 8.411 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.137 7.398 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.969 8.883 0.357 1.00 0.00 H new ATOM 837 N GLY A 54 7.892 7.332 -2.976 1.00 0.00 N ATOM 838 CA GLY A 54 9.246 6.840 -3.159 1.00 0.00 C ATOM 839 C GLY A 54 9.431 5.480 -2.482 1.00 0.00 C ATOM 840 O GLY A 54 10.412 5.266 -1.770 1.00 0.00 O ATOM 0 H GLY A 54 7.509 7.834 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.465 6.753 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.956 7.556 -2.745 1.00 0.00 H new ATOM 844 N VAL A 55 8.474 4.598 -2.727 1.00 0.00 N ATOM 845 CA VAL A 55 8.519 3.265 -2.149 1.00 0.00 C ATOM 846 C VAL A 55 9.740 2.520 -2.693 1.00 0.00 C ATOM 847 O VAL A 55 9.600 1.497 -3.361 1.00 0.00 O ATOM 848 CB VAL A 55 7.203 2.533 -2.419 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.142 1.213 -1.649 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.003 3.421 -2.081 1.00 0.00 C ATOM 0 H VAL A 55 7.663 4.780 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 55 8.628 3.321 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 55 7.160 2.302 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.196 0.713 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.968 0.573 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.218 1.412 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.080 2.877 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.040 3.697 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.034 4.322 -2.693 1.00 0.00 H new ATOM 860 N GLY A 56 10.909 3.061 -2.385 1.00 0.00 N ATOM 861 CA GLY A 56 12.154 2.460 -2.834 1.00 0.00 C ATOM 862 C GLY A 56 12.360 1.085 -2.195 1.00 0.00 C ATOM 863 O GLY A 56 11.663 0.726 -1.248 1.00 0.00 O ATOM 0 H GLY A 56 11.021 3.909 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.144 2.363 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.989 3.112 -2.580 1.00 0.00 H new ATOM 867 N LYS A 57 13.321 0.354 -2.740 1.00 0.00 N ATOM 868 CA LYS A 57 13.628 -0.974 -2.236 1.00 0.00 C ATOM 869 C LYS A 57 14.301 -0.851 -0.867 1.00 0.00 C ATOM 870 O LYS A 57 14.825 0.206 -0.521 1.00 0.00 O ATOM 871 CB LYS A 57 14.452 -1.758 -3.258 1.00 0.00 C ATOM 872 CG LYS A 57 14.122 -3.251 -3.200 1.00 0.00 C ATOM 873 CD LYS A 57 15.122 -4.067 -4.022 1.00 0.00 C ATOM 874 CE LYS A 57 16.559 -3.637 -3.720 1.00 0.00 C ATOM 875 NZ LYS A 57 16.967 -2.528 -4.611 1.00 0.00 N ATOM 0 H LYS A 57 13.897 0.656 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 57 12.713 -1.548 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.254 -1.377 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.514 -1.609 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.135 -3.590 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.113 -3.419 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.001 -5.127 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.916 -3.938 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.640 -3.323 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 57 17.233 -4.483 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.781 -2.826 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.175 -2.276 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.233 -1.702 -4.038 1.00 0.00 H new ATOM 889 N ASP A 58 14.265 -1.949 -0.125 1.00 0.00 N ATOM 890 CA ASP A 58 14.865 -1.978 1.198 1.00 0.00 C ATOM 891 C ASP A 58 14.130 -0.991 2.108 1.00 0.00 C ATOM 892 O ASP A 58 14.532 -0.778 3.251 1.00 0.00 O ATOM 893 CB ASP A 58 16.337 -1.565 1.144 1.00 0.00 C ATOM 894 CG ASP A 58 16.931 -1.115 2.480 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.489 -0.013 2.592 1.00 0.00 O ATOM 896 OD2 ASP A 58 16.803 -1.959 3.446 1.00 0.00 O ATOM 0 H ASP A 58 13.830 -2.825 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 58 14.790 -2.996 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.921 -2.405 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.445 -0.754 0.424 1.00 0.00 H new ATOM 902 N ALA A 59 13.066 -0.416 1.567 1.00 0.00 N ATOM 903 CA ALA A 59 12.272 0.543 2.315 1.00 0.00 C ATOM 904 C ALA A 59 11.053 -0.165 2.910 1.00 0.00 C ATOM 905 O ALA A 59 10.423 -0.987 2.246 1.00 0.00 O ATOM 906 CB ALA A 59 11.883 1.708 1.403 1.00 0.00 C ATOM 0 H ALA A 59 12.735 -0.596 0.619 1.00 0.00 H new ATOM 0 HA ALA A 59 12.849 0.957 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.287 2.427 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.784 2.195 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.300 1.333 0.562 1.00 0.00 H new ATOM 912 N GLU A 60 10.756 0.181 4.154 1.00 0.00 N ATOM 913 CA GLU A 60 9.623 -0.412 4.845 1.00 0.00 C ATOM 914 C GLU A 60 8.397 0.497 4.731 1.00 0.00 C ATOM 915 O GLU A 60 8.435 1.652 5.152 1.00 0.00 O ATOM 916 CB GLU A 60 9.961 -0.695 6.310 1.00 0.00 C ATOM 917 CG GLU A 60 11.182 -1.610 6.424 1.00 0.00 C ATOM 918 CD GLU A 60 11.466 -1.965 7.884 1.00 0.00 C ATOM 919 OE1 GLU A 60 10.535 -2.024 8.701 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.707 -2.186 8.160 1.00 0.00 O ATOM 0 H GLU A 60 11.280 0.864 4.701 1.00 0.00 H new ATOM 0 HA GLU A 60 9.390 -1.365 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.155 0.243 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.106 -1.160 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.013 -2.521 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.052 -1.117 5.990 1.00 0.00 H new ATOM 928 N ILE A 61 7.339 -0.059 4.159 1.00 0.00 N ATOM 929 CA ILE A 61 6.105 0.687 3.984 1.00 0.00 C ATOM 930 C ILE A 61 5.028 0.106 4.904 1.00 0.00 C ATOM 931 O ILE A 61 5.247 -0.915 5.554 1.00 0.00 O ATOM 932 CB ILE A 61 5.701 0.718 2.509 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.749 -0.684 1.898 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.560 1.714 1.727 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.659 -0.858 0.839 1.00 0.00 C ATOM 0 H ILE A 61 7.311 -1.017 3.811 1.00 0.00 H new ATOM 0 HA ILE A 61 6.246 1.728 4.274 1.00 0.00 H new ATOM 0 HB ILE A 61 4.669 1.062 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.727 -0.856 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.622 -1.431 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.253 1.717 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.432 2.712 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.608 1.423 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.715 -1.863 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.681 -0.709 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.803 -0.126 0.045 1.00 0.00 H new ATOM 947 N THR A 62 3.889 0.782 4.929 1.00 0.00 N ATOM 948 CA THR A 62 2.778 0.346 5.758 1.00 0.00 C ATOM 949 C THR A 62 1.448 0.784 5.141 1.00 0.00 C ATOM 950 O THR A 62 1.411 1.707 4.329 1.00 0.00 O ATOM 951 CB THR A 62 3.001 0.890 7.171 1.00 0.00 C ATOM 952 OG1 THR A 62 4.182 0.229 7.616 1.00 0.00 O ATOM 953 CG2 THR A 62 1.923 0.427 8.153 1.00 0.00 C ATOM 0 H THR A 62 3.711 1.629 4.388 1.00 0.00 H new ATOM 0 HA THR A 62 2.731 -0.741 5.816 1.00 0.00 H new ATOM 0 HB THR A 62 3.022 1.979 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.461 -0.429 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.128 0.841 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.947 0.771 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.925 -0.662 8.208 1.00 0.00 H new ATOM 961 N ILE A 63 0.390 0.100 5.550 1.00 0.00 N ATOM 962 CA ILE A 63 -0.939 0.406 5.047 1.00 0.00 C ATOM 963 C ILE A 63 -1.951 0.286 6.188 1.00 0.00 C ATOM 964 O ILE A 63 -1.925 -0.681 6.947 1.00 0.00 O ATOM 965 CB ILE A 63 -1.269 -0.470 3.838 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.506 -1.922 4.260 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.184 -0.356 2.765 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.930 -2.366 3.922 1.00 0.00 C ATOM 0 H ILE A 63 0.426 -0.665 6.224 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.983 1.434 4.688 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.198 -0.107 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.790 -2.572 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.334 -2.026 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.444 -0.989 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.106 0.680 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.772 -0.678 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.072 -3.401 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.643 -1.729 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.091 -2.284 2.847 1.00 0.00 H new ATOM 980 N TYR A 64 -2.820 1.283 6.273 1.00 0.00 N ATOM 981 CA TYR A 64 -3.839 1.302 7.308 1.00 0.00 C ATOM 982 C TYR A 64 -5.218 0.985 6.726 1.00 0.00 C ATOM 983 O TYR A 64 -5.423 1.085 5.517 1.00 0.00 O ATOM 984 CB TYR A 64 -3.849 2.726 7.866 1.00 0.00 C ATOM 985 CG TYR A 64 -2.590 3.095 8.655 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.361 3.103 8.028 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.685 3.418 9.993 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.177 3.450 8.771 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.501 3.764 10.736 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.305 3.763 10.088 1.00 0.00 C ATOM 991 OH TYR A 64 0.813 4.090 10.789 1.00 0.00 O ATOM 0 H TYR A 64 -2.839 2.084 5.641 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.622 0.556 8.072 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.967 3.428 7.040 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.718 2.846 8.512 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.287 2.849 6.981 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.647 3.411 10.483 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.791 3.461 8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.561 4.018 11.784 1.00 0.00 H new ATOM 0 HH TYR A 64 1.243 4.867 10.375 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.128 0.610 7.613 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.481 0.278 7.202 1.00 0.00 C ATOM 1003 C ALA A 65 -8.434 0.492 8.380 1.00 0.00 C ATOM 1004 O ALA A 65 -8.221 -0.051 9.462 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.518 -1.158 6.676 1.00 0.00 C ATOM 0 H ALA A 65 -5.955 0.529 8.615 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.806 0.930 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.534 -1.407 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.847 -1.250 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.200 -1.842 7.463 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.465 1.286 8.129 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.452 1.579 9.155 1.00 0.00 C ATOM 1013 C ASP A 66 -11.854 1.481 8.551 1.00 0.00 C ATOM 1014 O ASP A 66 -12.381 2.464 8.033 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.271 2.995 9.704 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.815 3.215 11.117 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.811 2.299 11.953 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.263 4.402 11.350 1.00 0.00 O ATOM 0 H ASP A 66 -9.638 1.736 7.230 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.322 0.859 9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.208 3.238 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.762 3.696 9.029 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.419 0.285 8.638 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.750 0.046 8.106 1.00 0.00 C ATOM 1026 C GLY A 67 -14.288 -1.310 8.566 1.00 0.00 C ATOM 1027 O GLY A 67 -13.959 -1.776 9.656 1.00 0.00 O ATOM 0 H GLY A 67 -11.979 -0.528 9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.424 0.838 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.722 0.080 7.017 1.00 0.00 H new ATOM 1031 N SER A 68 -15.107 -1.907 7.712 1.00 0.00 N ATOM 1032 CA SER A 68 -15.694 -3.200 8.016 1.00 0.00 C ATOM 1033 C SER A 68 -14.877 -4.314 7.357 1.00 0.00 C ATOM 1034 O SER A 68 -14.976 -5.476 7.748 1.00 0.00 O ATOM 1035 CB SER A 68 -17.151 -3.267 7.554 1.00 0.00 C ATOM 1036 OG SER A 68 -17.995 -2.421 8.330 1.00 0.00 O ATOM 0 H SER A 68 -15.378 -1.518 6.809 1.00 0.00 H new ATOM 0 HA SER A 68 -15.678 -3.336 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.213 -2.977 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.506 -4.295 7.622 1.00 0.00 H new ATOM 0 HG SER A 68 -18.916 -2.490 8.004 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.088 -3.920 6.369 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.255 -4.870 5.652 1.00 0.00 C ATOM 1044 C ASP A 69 -11.782 -4.558 5.926 1.00 0.00 C ATOM 1045 O ASP A 69 -10.894 -5.243 5.420 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.485 -4.775 4.142 1.00 0.00 C ATOM 1047 CG ASP A 69 -14.546 -3.760 3.712 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -14.659 -2.670 4.292 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.287 -4.131 2.724 1.00 0.00 O ATOM 0 H ASP A 69 -14.008 -2.955 6.048 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.515 -5.872 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.541 -4.517 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.773 -5.759 3.771 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.568 -3.524 6.725 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.218 -3.113 7.072 1.00 0.00 C ATOM 1057 C GLU A 70 -9.280 -4.321 7.076 1.00 0.00 C ATOM 1058 O GLU A 70 -8.390 -4.423 6.232 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.193 -2.396 8.424 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.167 -3.048 9.408 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.442 -3.503 10.676 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -9.609 -4.420 10.618 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.769 -2.868 11.750 1.00 0.00 O ATOM 0 H GLU A 70 -12.307 -2.958 7.142 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.869 -2.408 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.184 -2.422 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.455 -1.347 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.954 -2.341 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.650 -3.903 8.935 1.00 0.00 H new ATOM 1071 N SER A 71 -9.510 -5.207 8.034 1.00 0.00 N ATOM 1072 CA SER A 71 -8.696 -6.404 8.158 1.00 0.00 C ATOM 1073 C SER A 71 -8.665 -7.156 6.826 1.00 0.00 C ATOM 1074 O SER A 71 -7.607 -7.604 6.386 1.00 0.00 O ATOM 1075 CB SER A 71 -9.223 -7.315 9.269 1.00 0.00 C ATOM 1076 OG SER A 71 -8.380 -7.298 10.418 1.00 0.00 O ATOM 0 H SER A 71 -10.249 -5.120 8.732 1.00 0.00 H new ATOM 0 HA SER A 71 -7.682 -6.103 8.422 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.227 -6.999 9.551 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.304 -8.335 8.894 1.00 0.00 H new ATOM 0 HG SER A 71 -8.385 -6.402 10.814 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.838 -7.271 6.220 1.00 0.00 N ATOM 1083 CA ASP A 72 -9.957 -7.960 4.946 1.00 0.00 C ATOM 1084 C ASP A 72 -9.152 -7.207 3.886 1.00 0.00 C ATOM 1085 O ASP A 72 -8.556 -7.821 3.002 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.415 -8.013 4.484 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.809 -9.287 3.734 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -10.949 -10.087 3.337 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -13.078 -9.445 3.558 1.00 0.00 O ATOM 0 H ASP A 72 -10.714 -6.899 6.587 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.582 -8.975 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.061 -7.908 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.608 -7.155 3.839 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.160 -5.888 4.009 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.437 -5.045 3.072 1.00 0.00 C ATOM 1097 C ALA A 73 -6.933 -5.221 3.289 1.00 0.00 C ATOM 1098 O ALA A 73 -6.155 -5.170 2.338 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.884 -3.591 3.243 1.00 0.00 C ATOM 0 H ALA A 73 -9.656 -5.382 4.743 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.658 -5.336 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.342 -2.959 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.954 -3.514 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.675 -3.264 4.261 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.569 -5.425 4.547 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.172 -5.609 4.901 1.00 0.00 C ATOM 1107 C ILE A 74 -4.688 -6.959 4.366 1.00 0.00 C ATOM 1108 O ILE A 74 -3.540 -7.088 3.945 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.974 -5.438 6.408 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -3.975 -4.318 6.706 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.565 -6.759 7.061 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.640 -3.185 7.490 1.00 0.00 C ATOM 0 H ILE A 74 -7.217 -5.467 5.333 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.556 -4.841 4.433 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.928 -5.144 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.136 -4.716 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.569 -3.929 5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.431 -6.609 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.343 -7.504 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.629 -7.107 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.908 -2.402 7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.463 -2.773 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.023 -3.572 8.434 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.589 -7.930 4.402 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.269 -9.265 3.927 1.00 0.00 C ATOM 1126 C GLN A 75 -5.120 -9.265 2.404 1.00 0.00 C ATOM 1127 O GLN A 75 -4.378 -10.074 1.849 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.327 -10.275 4.374 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.172 -10.610 5.859 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.726 -10.985 6.189 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -3.982 -9.963 6.599 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.314 -12.128 6.078 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.540 -7.819 4.753 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.318 -9.567 4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.322 -9.870 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.239 -11.185 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.476 -9.754 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.834 -11.436 6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.940 -12.867 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.344 -12.345 6.306 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.838 -8.349 1.771 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.796 -8.233 0.323 1.00 0.00 C ATOM 1143 C ALA A 76 -4.511 -7.512 -0.089 1.00 0.00 C ATOM 1144 O ALA A 76 -3.872 -7.888 -1.070 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.053 -7.512 -0.168 1.00 0.00 C ATOM 0 H ALA A 76 -6.453 -7.680 2.235 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.784 -9.219 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.022 -7.425 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.936 -8.080 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.098 -6.517 0.275 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.172 -6.488 0.681 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.975 -5.711 0.408 1.00 0.00 C ATOM 1153 C ILE A 77 -1.760 -6.640 0.399 1.00 0.00 C ATOM 1154 O ILE A 77 -1.176 -6.894 -0.653 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.854 -4.549 1.397 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.484 -3.277 0.827 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.397 -4.332 1.811 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.856 -3.017 1.451 1.00 0.00 C ATOM 0 H ILE A 77 -4.705 -6.179 1.494 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.034 -5.254 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.410 -4.807 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.828 -2.427 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.584 -3.370 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.338 -3.501 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.015 -5.236 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.798 -4.104 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.281 -2.107 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.517 -3.858 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.749 -2.900 2.529 1.00 0.00 H new ATOM 1170 N SER A 78 -1.415 -7.123 1.584 1.00 0.00 N ATOM 1171 CA SER A 78 -0.280 -8.018 1.726 1.00 0.00 C ATOM 1172 C SER A 78 -0.258 -9.023 0.572 1.00 0.00 C ATOM 1173 O SER A 78 0.810 -9.430 0.119 1.00 0.00 O ATOM 1174 CB SER A 78 -0.321 -8.752 3.068 1.00 0.00 C ATOM 1175 OG SER A 78 0.908 -8.635 3.779 1.00 0.00 O ATOM 0 H SER A 78 -1.902 -6.911 2.455 1.00 0.00 H new ATOM 0 HA SER A 78 0.631 -7.421 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.131 -8.350 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.542 -9.806 2.898 1.00 0.00 H new ATOM 0 HG SER A 78 0.909 -7.803 4.297 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.451 -9.393 0.130 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.583 -10.343 -0.962 1.00 0.00 C ATOM 1183 C ASP A 79 -1.115 -9.686 -2.262 1.00 0.00 C ATOM 1184 O ASP A 79 -0.338 -10.273 -3.013 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.040 -10.771 -1.147 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.243 -12.021 -2.005 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.391 -12.923 -2.031 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.344 -12.049 -2.676 1.00 0.00 O ATOM 0 H ASP A 79 -2.335 -9.052 0.508 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.978 -11.218 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.478 -10.948 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.591 -9.946 -1.598 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.607 -8.477 -2.488 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.249 -7.734 -3.684 1.00 0.00 C ATOM 1196 C VAL A 80 0.245 -7.407 -3.647 1.00 0.00 C ATOM 1197 O VAL A 80 0.920 -7.452 -4.675 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.130 -6.490 -3.812 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.725 -5.653 -5.027 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.611 -6.872 -3.877 1.00 0.00 C ATOM 0 H VAL A 80 -2.251 -7.993 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.429 -8.335 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.980 -5.880 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.367 -4.775 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.687 -5.336 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.831 -6.251 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.216 -5.970 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.784 -7.513 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.889 -7.405 -2.968 1.00 0.00 H new ATOM 1210 N LEU A 81 0.719 -7.084 -2.453 1.00 0.00 N ATOM 1211 CA LEU A 81 2.120 -6.749 -2.269 1.00 0.00 C ATOM 1212 C LEU A 81 2.981 -7.968 -2.608 1.00 0.00 C ATOM 1213 O LEU A 81 3.918 -7.870 -3.398 1.00 0.00 O ATOM 1214 CB LEU A 81 2.360 -6.199 -0.861 1.00 0.00 C ATOM 1215 CG LEU A 81 1.789 -4.808 -0.578 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.628 -4.577 0.926 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.642 -3.721 -1.236 1.00 0.00 C ATOM 0 H LEU A 81 0.157 -7.047 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 81 2.413 -5.951 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.934 -6.898 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.435 -6.172 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 81 0.795 -4.750 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.221 -3.581 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.949 -5.324 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.599 -4.661 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.214 -2.742 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.658 -3.768 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.662 -3.877 -2.315 1.00 0.00 H new ATOM 1229 N SER A 82 2.631 -9.088 -1.993 1.00 0.00 N ATOM 1230 CA SER A 82 3.359 -10.325 -2.219 1.00 0.00 C ATOM 1231 C SER A 82 3.021 -10.886 -3.602 1.00 0.00 C ATOM 1232 O SER A 82 3.845 -11.554 -4.224 1.00 0.00 O ATOM 1233 CB SER A 82 3.042 -11.357 -1.135 1.00 0.00 C ATOM 1234 OG SER A 82 4.049 -11.401 -0.129 1.00 0.00 O ATOM 0 H SER A 82 1.853 -9.165 -1.338 1.00 0.00 H new ATOM 0 HA SER A 82 4.426 -10.107 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.082 -11.118 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.942 -12.342 -1.591 1.00 0.00 H new ATOM 0 HG SER A 82 3.809 -12.071 0.545 1.00 0.00 H new ATOM 1240 N LYS A 83 1.806 -10.594 -4.043 1.00 0.00 N ATOM 1241 CA LYS A 83 1.348 -11.060 -5.340 1.00 0.00 C ATOM 1242 C LYS A 83 2.314 -10.573 -6.422 1.00 0.00 C ATOM 1243 O LYS A 83 2.655 -11.321 -7.338 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.104 -10.642 -5.579 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.074 -11.662 -4.979 1.00 0.00 C ATOM 1246 CD LYS A 83 -1.960 -12.279 -6.063 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.050 -13.157 -5.446 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.707 -13.977 -6.489 1.00 0.00 N ATOM 0 H LYS A 83 1.125 -10.040 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 83 1.351 -12.149 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.282 -9.662 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.287 -10.546 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.514 -12.447 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.697 -11.178 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.418 -11.488 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.349 -12.874 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.616 -13.805 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.790 -12.531 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.444 -14.567 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.138 -13.353 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.000 -14.588 -6.947 1.00 0.00 H new ATOM 1262 N GLU A 84 2.728 -9.323 -6.282 1.00 0.00 N ATOM 1263 CA GLU A 84 3.648 -8.727 -7.236 1.00 0.00 C ATOM 1264 C GLU A 84 5.088 -9.125 -6.904 1.00 0.00 C ATOM 1265 O GLU A 84 5.856 -9.488 -7.793 1.00 0.00 O ATOM 1266 CB GLU A 84 3.494 -7.205 -7.270 1.00 0.00 C ATOM 1267 CG GLU A 84 2.035 -6.797 -7.054 1.00 0.00 C ATOM 1268 CD GLU A 84 1.544 -5.897 -8.190 1.00 0.00 C ATOM 1269 OE1 GLU A 84 2.170 -5.852 -9.260 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.471 -5.230 -7.932 1.00 0.00 O ATOM 0 H GLU A 84 2.443 -8.706 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 84 3.406 -9.106 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.119 -6.755 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.845 -6.822 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.409 -7.688 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.937 -6.274 -6.103 1.00 0.00 H new ATOM 1278 N GLY A 85 5.410 -9.043 -5.621 1.00 0.00 N ATOM 1279 CA GLY A 85 6.744 -9.389 -5.161 1.00 0.00 C ATOM 1280 C GLY A 85 7.529 -8.138 -4.762 1.00 0.00 C ATOM 1281 O GLY A 85 8.759 -8.142 -4.775 1.00 0.00 O ATOM 0 H GLY A 85 4.770 -8.742 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.675 -10.066 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.277 -9.921 -5.949 1.00 0.00 H new ATOM 1285 N LEU A 86 6.785 -7.098 -4.416 1.00 0.00 N ATOM 1286 CA LEU A 86 7.396 -5.842 -4.013 1.00 0.00 C ATOM 1287 C LEU A 86 7.922 -5.972 -2.582 1.00 0.00 C ATOM 1288 O LEU A 86 8.724 -5.153 -2.135 1.00 0.00 O ATOM 1289 CB LEU A 86 6.416 -4.683 -4.206 1.00 0.00 C ATOM 1290 CG LEU A 86 5.857 -4.506 -5.619 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.403 -4.031 -5.577 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.742 -3.570 -6.445 1.00 0.00 C ATOM 0 H LEU A 86 5.765 -7.099 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 86 8.252 -5.613 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.580 -4.822 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.916 -3.759 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 86 5.865 -5.477 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.029 -3.913 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.795 -4.766 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.348 -3.075 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.323 -3.461 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.789 -2.594 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.746 -3.988 -6.516 1.00 0.00 H new ATOM 1304 N THR A 87 7.448 -7.006 -1.903 1.00 0.00 N ATOM 1305 CA THR A 87 7.861 -7.253 -0.532 1.00 0.00 C ATOM 1306 C THR A 87 8.187 -8.734 -0.332 1.00 0.00 C ATOM 1307 O THR A 87 7.852 -9.567 -1.173 1.00 0.00 O ATOM 1308 CB THR A 87 6.753 -6.745 0.394 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.799 -7.803 0.407 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.989 -5.561 -0.203 1.00 0.00 C ATOM 0 H THR A 87 6.782 -7.682 -2.276 1.00 0.00 H new ATOM 0 HA THR A 87 8.778 -6.715 -0.292 1.00 0.00 H new ATOM 0 HB THR A 87 7.185 -6.453 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.047 -7.558 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.215 -5.239 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.679 -4.737 -0.384 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.528 -5.862 -1.144 1.00 0.00 H new ATOM 1318 N LYS A 88 8.838 -9.018 0.787 1.00 0.00 N ATOM 1319 CA LYS A 88 9.213 -10.385 1.108 1.00 0.00 C ATOM 1320 C LYS A 88 9.642 -11.105 -0.171 1.00 0.00 C ATOM 1321 O LYS A 88 10.069 -12.258 -0.125 1.00 0.00 O ATOM 1322 CB LYS A 88 8.082 -11.088 1.861 1.00 0.00 C ATOM 1323 CG LYS A 88 8.239 -10.915 3.373 1.00 0.00 C ATOM 1324 CD LYS A 88 8.448 -12.265 4.062 1.00 0.00 C ATOM 1325 CE LYS A 88 9.167 -12.093 5.401 1.00 0.00 C ATOM 1326 NZ LYS A 88 10.623 -12.297 5.237 1.00 0.00 N ATOM 0 H LYS A 88 9.115 -8.325 1.482 1.00 0.00 H new ATOM 0 HA LYS A 88 10.069 -10.397 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.122 -10.683 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.079 -12.149 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.086 -10.262 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.353 -10.428 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.484 -12.748 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.030 -12.921 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.976 -11.096 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.773 -12.805 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.096 -12.177 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.801 -13.257 4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.997 -11.601 4.561 1.00 0.00 H new