USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=27 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 4 ASN : amide:sc= -0.331 K(o=-0.61,f=-2) USER MOD Set 1.2: A 6 TYR OH : rot 39:sc= 0.367 USER MOD Set 1.3: A 78 SER OG : rot 85:sc= -0.644! USER MOD Set 2.1: A 3 GLN : amide:sc= -9.97! C(o=-9.3!,f=-14!) USER MOD Set 2.2: A 64 TYR OH : rot 67:sc= 0.714 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00436 USER MOD Single : A 12 THR OG1 : rot 85:sc= 0.0911 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -9.78! C(o=-11!,f=-9.8!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.372 USER MOD Single : A 21 MET CE :methyl -128:sc= -0.0325 (180deg=-0.384) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 89:sc= 0.421 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.159 (180deg=-0.886) USER MOD Single : A 31 SER OG : rot 90:sc= -3.87! USER MOD Single : A 34 GLN :FLIP amide:sc= -0.602 F(o=-1.8,f=-0.6) USER MOD Single : A 37 TYR OH : rot 133:sc= -0.333 USER MOD Single : A 38 ASN :FLIP amide:sc= -10.3! C(o=-11!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0.546 (180deg=0.543) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.366 F(o=-2.1,f=-0.37) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -0.699 (180deg=-0.713) 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 148:sc= -0.877! (180deg=-3.17!) USER MOD Single : A 52 SER OG : rot 107:sc= 1.28 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 59:sc= -0.805! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.891 F(o=-3.5!,f=-0.89) 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 -6.991 -0.791 11.549 1.00 0.00 N ATOM 19 CA GLU A 2 -6.042 -1.877 11.371 1.00 0.00 C ATOM 20 C GLU A 2 -5.102 -1.574 10.202 1.00 0.00 C ATOM 21 O GLU A 2 -5.555 -1.298 9.092 1.00 0.00 O ATOM 22 CB GLU A 2 -6.765 -3.208 11.162 1.00 0.00 C ATOM 23 CG GLU A 2 -6.163 -3.981 9.988 1.00 0.00 C ATOM 24 CD GLU A 2 -6.327 -5.490 10.183 1.00 0.00 C ATOM 25 OE1 GLU A 2 -5.897 -6.276 9.325 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.924 -5.838 11.272 1.00 0.00 O ATOM 0 HA GLU A 2 -5.445 -1.964 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.699 -3.808 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.824 -3.026 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.647 -3.676 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.105 -3.736 9.891 1.00 0.00 H new ATOM 34 N GLN A 3 -3.810 -1.634 10.492 1.00 0.00 N ATOM 35 CA GLN A 3 -2.803 -1.370 9.479 1.00 0.00 C ATOM 36 C GLN A 3 -1.908 -2.595 9.289 1.00 0.00 C ATOM 37 O GLN A 3 -2.078 -3.606 9.970 1.00 0.00 O ATOM 38 CB GLN A 3 -1.974 -0.135 9.839 1.00 0.00 C ATOM 39 CG GLN A 3 -1.049 -0.422 11.023 1.00 0.00 C ATOM 40 CD GLN A 3 0.270 0.342 10.886 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.389 1.297 10.137 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.250 -0.131 11.650 1.00 0.00 N ATOM 0 H GLN A 3 -3.438 -1.862 11.414 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.309 -1.165 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.382 0.174 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.638 0.694 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.543 -0.138 11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.849 -1.492 11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.082 -0.935 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.170 0.310 11.631 1.00 0.00 H new ATOM 51 N ASN A 4 -0.972 -2.467 8.359 1.00 0.00 N ATOM 52 CA ASN A 4 -0.050 -3.551 8.071 1.00 0.00 C ATOM 53 C ASN A 4 1.247 -2.974 7.501 1.00 0.00 C ATOM 54 O ASN A 4 1.219 -2.195 6.547 1.00 0.00 O ATOM 55 CB ASN A 4 -0.635 -4.511 7.033 1.00 0.00 C ATOM 56 CG ASN A 4 -0.992 -5.856 7.671 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.835 -6.912 7.081 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.480 -5.757 8.904 1.00 0.00 N ATOM 0 H ASN A 4 -0.833 -1.628 7.796 1.00 0.00 H new ATOM 0 HA ASN A 4 0.135 -4.091 8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.525 -4.069 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.084 -4.665 6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.749 -6.598 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.585 -4.840 9.339 1.00 0.00 H new ATOM 65 N SER A 5 2.354 -3.376 8.108 1.00 0.00 N ATOM 66 CA SER A 5 3.659 -2.908 7.673 1.00 0.00 C ATOM 67 C SER A 5 4.322 -3.961 6.783 1.00 0.00 C ATOM 68 O SER A 5 3.998 -5.144 6.868 1.00 0.00 O ATOM 69 CB SER A 5 4.554 -2.583 8.869 1.00 0.00 C ATOM 70 OG SER A 5 3.860 -2.711 10.107 1.00 0.00 O ATOM 0 H SER A 5 2.374 -4.021 8.898 1.00 0.00 H new ATOM 0 HA SER A 5 3.520 -1.992 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.417 -3.249 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.935 -1.567 8.771 1.00 0.00 H new ATOM 0 HG SER A 5 4.467 -2.497 10.846 1.00 0.00 H new ATOM 76 N TYR A 6 5.241 -3.494 5.950 1.00 0.00 N ATOM 77 CA TYR A 6 5.953 -4.380 5.046 1.00 0.00 C ATOM 78 C TYR A 6 7.313 -3.794 4.662 1.00 0.00 C ATOM 79 O TYR A 6 7.685 -2.720 5.132 1.00 0.00 O ATOM 80 CB TYR A 6 5.085 -4.489 3.791 1.00 0.00 C ATOM 81 CG TYR A 6 3.674 -5.019 4.055 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.500 -6.246 4.660 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.576 -4.268 3.686 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.172 -6.745 4.908 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.247 -4.767 3.934 1.00 0.00 C ATOM 86 CZ TYR A 6 1.111 -5.980 4.532 1.00 0.00 C ATOM 87 OH TYR A 6 -0.143 -6.452 4.766 1.00 0.00 O ATOM 0 H TYR A 6 5.509 -2.512 5.883 1.00 0.00 H new ATOM 0 HA TYR A 6 6.130 -5.347 5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.012 -3.506 3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.580 -5.145 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.360 -6.833 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.713 -3.307 3.212 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.022 -7.704 5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.379 -4.190 3.651 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.164 -6.909 5.633 1.00 0.00 H new ATOM 97 N VAL A 7 8.018 -4.527 3.812 1.00 0.00 N ATOM 98 CA VAL A 7 9.329 -4.093 3.359 1.00 0.00 C ATOM 99 C VAL A 7 9.411 -4.233 1.838 1.00 0.00 C ATOM 100 O VAL A 7 8.959 -5.230 1.278 1.00 0.00 O ATOM 101 CB VAL A 7 10.421 -4.876 4.091 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.821 -6.029 4.900 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.479 -5.387 3.112 1.00 0.00 C ATOM 0 H VAL A 7 7.706 -5.418 3.425 1.00 0.00 H new ATOM 0 HA VAL A 7 9.486 -3.041 3.597 1.00 0.00 H new ATOM 0 HB VAL A 7 10.910 -4.196 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.619 -6.569 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.123 -5.632 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.294 -6.708 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.243 -5.940 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.010 -6.044 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.939 -4.542 2.600 1.00 0.00 H new ATOM 113 N ILE A 8 9.990 -3.217 1.213 1.00 0.00 N ATOM 114 CA ILE A 8 10.137 -3.215 -0.233 1.00 0.00 C ATOM 115 C ILE A 8 11.356 -4.054 -0.618 1.00 0.00 C ATOM 116 O ILE A 8 12.444 -3.861 -0.077 1.00 0.00 O ATOM 117 CB ILE A 8 10.183 -1.781 -0.764 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.916 -1.013 -0.381 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.430 -1.763 -2.274 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.661 -1.777 -0.807 1.00 0.00 C ATOM 0 H ILE A 8 10.362 -2.391 1.681 1.00 0.00 H new ATOM 0 HA ILE A 8 9.270 -3.677 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 8 11.023 -1.270 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.898 -0.849 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.926 -0.031 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.458 -0.732 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.382 -2.247 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.626 -2.297 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.775 -1.209 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.670 -1.918 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.642 -2.749 -0.314 1.00 0.00 H new ATOM 132 N ILE A 9 11.135 -4.968 -1.553 1.00 0.00 N ATOM 133 CA ILE A 9 12.203 -5.836 -2.018 1.00 0.00 C ATOM 134 C ILE A 9 12.364 -5.675 -3.530 1.00 0.00 C ATOM 135 O ILE A 9 13.241 -6.290 -4.134 1.00 0.00 O ATOM 136 CB ILE A 9 11.950 -7.279 -1.575 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.735 -7.868 -2.295 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.816 -7.372 -0.054 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.771 -9.397 -2.270 1.00 0.00 C ATOM 0 H ILE A 9 10.232 -5.126 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 9 13.152 -5.550 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 9 12.815 -7.879 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.820 -7.514 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.714 -7.518 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.637 -8.408 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.735 -7.020 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.981 -6.755 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.896 -9.790 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.675 -9.748 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.767 -9.744 -1.237 1.00 0.00 H new ATOM 151 N ASP A 10 11.501 -4.845 -4.100 1.00 0.00 N ATOM 152 CA ASP A 10 11.537 -4.596 -5.530 1.00 0.00 C ATOM 153 C ASP A 10 12.388 -3.355 -5.807 1.00 0.00 C ATOM 154 O ASP A 10 12.129 -2.286 -5.258 1.00 0.00 O ATOM 155 CB ASP A 10 10.132 -4.337 -6.079 1.00 0.00 C ATOM 156 CG ASP A 10 10.068 -4.040 -7.579 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.981 -3.869 -8.150 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.212 -3.989 -8.173 1.00 0.00 O ATOM 0 H ASP A 10 10.774 -4.337 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 10 11.958 -5.477 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.510 -5.207 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.696 -3.497 -5.539 1.00 0.00 H new ATOM 164 N GLU A 11 13.387 -3.539 -6.658 1.00 0.00 N ATOM 165 CA GLU A 11 14.278 -2.448 -7.014 1.00 0.00 C ATOM 166 C GLU A 11 13.528 -1.396 -7.834 1.00 0.00 C ATOM 167 O GLU A 11 14.058 -0.320 -8.102 1.00 0.00 O ATOM 168 CB GLU A 11 15.501 -2.965 -7.772 1.00 0.00 C ATOM 169 CG GLU A 11 15.256 -2.952 -9.283 1.00 0.00 C ATOM 170 CD GLU A 11 15.507 -1.562 -9.869 1.00 0.00 C ATOM 171 OE1 GLU A 11 14.586 -0.947 -10.424 1.00 0.00 O ATOM 172 OE2 GLU A 11 16.713 -1.122 -9.730 1.00 0.00 O ATOM 0 H GLU A 11 13.599 -4.428 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 11 14.632 -1.979 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.368 -2.348 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.733 -3.979 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.910 -3.678 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.231 -3.258 -9.491 1.00 0.00 H new ATOM 180 N THR A 12 12.306 -1.745 -8.209 1.00 0.00 N ATOM 181 CA THR A 12 11.478 -0.845 -8.993 1.00 0.00 C ATOM 182 C THR A 12 10.670 0.073 -8.073 1.00 0.00 C ATOM 183 O THR A 12 10.126 1.082 -8.520 1.00 0.00 O ATOM 184 CB THR A 12 10.607 -1.692 -9.922 1.00 0.00 C ATOM 185 OG1 THR A 12 11.545 -2.441 -10.691 1.00 0.00 O ATOM 186 CG2 THR A 12 9.865 -0.848 -10.960 1.00 0.00 C ATOM 0 H THR A 12 11.869 -2.639 -7.984 1.00 0.00 H new ATOM 0 HA THR A 12 12.087 -0.183 -9.609 1.00 0.00 H new ATOM 0 HB THR A 12 9.886 -2.255 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.804 -3.247 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.262 -1.498 -11.594 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.217 -0.133 -10.452 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.587 -0.310 -11.575 1.00 0.00 H new ATOM 194 N GLY A 13 10.618 -0.308 -6.806 1.00 0.00 N ATOM 195 CA GLY A 13 9.887 0.468 -5.820 1.00 0.00 C ATOM 196 C GLY A 13 8.431 0.665 -6.247 1.00 0.00 C ATOM 197 O GLY A 13 8.162 1.245 -7.299 1.00 0.00 O ATOM 0 H GLY A 13 11.071 -1.145 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.921 -0.038 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.366 1.438 -5.688 1.00 0.00 H new ATOM 201 N ILE A 14 7.530 0.172 -5.411 1.00 0.00 N ATOM 202 CA ILE A 14 6.108 0.287 -5.689 1.00 0.00 C ATOM 203 C ILE A 14 5.877 1.435 -6.673 1.00 0.00 C ATOM 204 O ILE A 14 6.049 2.602 -6.323 1.00 0.00 O ATOM 205 CB ILE A 14 5.317 0.424 -4.386 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.463 -0.820 -4.130 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.480 1.705 -4.386 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.059 -0.650 -4.714 1.00 0.00 C ATOM 0 H ILE A 14 7.757 -0.308 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 14 5.738 -0.621 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 14 6.026 0.503 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.942 -1.692 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.395 -1.005 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.928 1.779 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.137 2.569 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.779 1.681 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.472 -1.548 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.574 0.209 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.129 -0.490 -5.790 1.00 0.00 H new ATOM 220 N HIS A 15 5.488 1.064 -7.885 1.00 0.00 N ATOM 221 CA HIS A 15 5.232 2.049 -8.922 1.00 0.00 C ATOM 222 C HIS A 15 3.728 2.124 -9.196 1.00 0.00 C ATOM 223 O HIS A 15 2.927 1.582 -8.437 1.00 0.00 O ATOM 224 CB HIS A 15 6.049 1.740 -10.178 1.00 0.00 C ATOM 225 CG HIS A 15 6.366 0.275 -10.360 1.00 0.00 C ATOM 226 ND1 HIS A 15 7.075 -0.588 -9.577 1.00 0.00 N flip ATOM 227 CD2 HIS A 15 5.935 -0.454 -11.455 1.00 0.00 C flip ATOM 228 CE1 HIS A 15 7.077 -1.779 -10.161 1.00 0.00 C flip ATOM 229 NE2 HIS A 15 6.371 -1.699 -11.325 1.00 0.00 N flip ATOM 0 H HIS A 15 5.344 0.096 -8.171 1.00 0.00 H new ATOM 0 HA HIS A 15 5.555 3.033 -8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.501 2.094 -11.051 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.983 2.301 -10.139 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.527 -0.357 -8.692 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.344 -0.073 -12.275 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.559 -2.666 -9.778 1.00 0.00 H new ATOM 237 N ALA A 16 3.391 2.801 -10.284 1.00 0.00 N ATOM 238 CA ALA A 16 1.998 2.955 -10.668 1.00 0.00 C ATOM 239 C ALA A 16 1.425 1.588 -11.048 1.00 0.00 C ATOM 240 O ALA A 16 0.217 1.371 -10.959 1.00 0.00 O ATOM 241 CB ALA A 16 1.892 3.969 -11.808 1.00 0.00 C ATOM 0 H ALA A 16 4.059 3.249 -10.912 1.00 0.00 H new ATOM 0 HA ALA A 16 1.410 3.339 -9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.847 4.085 -12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.286 4.930 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.467 3.616 -12.664 1.00 0.00 H new ATOM 247 N ARG A 17 2.318 0.702 -11.464 1.00 0.00 N ATOM 248 CA ARG A 17 1.916 -0.638 -11.858 1.00 0.00 C ATOM 249 C ARG A 17 1.221 -1.347 -10.693 1.00 0.00 C ATOM 250 O ARG A 17 0.030 -1.648 -10.767 1.00 0.00 O ATOM 251 CB ARG A 17 3.123 -1.466 -12.303 1.00 0.00 C ATOM 252 CG ARG A 17 3.124 -1.660 -13.821 1.00 0.00 C ATOM 253 CD ARG A 17 1.717 -1.968 -14.336 1.00 0.00 C ATOM 254 NE ARG A 17 1.790 -2.913 -15.473 1.00 0.00 N ATOM 255 CZ ARG A 17 0.720 -3.454 -16.070 1.00 0.00 C ATOM 256 NH1 ARG A 17 -0.513 -3.148 -15.642 1.00 0.00 N ATOM 257 NH2 ARG A 17 0.881 -4.303 -17.095 1.00 0.00 N ATOM 0 H ARG A 17 3.319 0.886 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 17 1.225 -0.545 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.043 -0.969 -11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.105 -2.437 -11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.504 -0.761 -14.306 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.798 -2.474 -14.087 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.113 -2.395 -13.535 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.226 -1.047 -14.649 1.00 0.00 H new ATOM 0 HE ARG A 17 2.713 -3.168 -15.824 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.636 -2.503 -14.862 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.328 -3.560 -16.097 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.819 -4.537 -17.421 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.066 -4.715 -17.549 1.00 0.00 H new ATOM 271 N PRO A 18 2.014 -1.599 -9.618 1.00 0.00 N ATOM 272 CA PRO A 18 1.488 -2.267 -8.440 1.00 0.00 C ATOM 273 C PRO A 18 0.614 -1.318 -7.617 1.00 0.00 C ATOM 274 O PRO A 18 -0.501 -1.671 -7.234 1.00 0.00 O ATOM 275 CB PRO A 18 2.713 -2.753 -7.684 1.00 0.00 C ATOM 276 CG PRO A 18 3.883 -1.943 -8.218 1.00 0.00 C ATOM 277 CD PRO A 18 3.428 -1.256 -9.496 1.00 0.00 C ATOM 0 HA PRO A 18 0.832 -3.102 -8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.593 -2.605 -6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.872 -3.820 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.205 -1.206 -7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.737 -2.590 -8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.570 -0.177 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.996 -1.606 -10.358 1.00 0.00 H new ATOM 285 N ALA A 19 1.153 -0.134 -7.368 1.00 0.00 N ATOM 286 CA ALA A 19 0.437 0.868 -6.596 1.00 0.00 C ATOM 287 C ALA A 19 -1.029 0.890 -7.035 1.00 0.00 C ATOM 288 O ALA A 19 -1.912 1.215 -6.244 1.00 0.00 O ATOM 289 CB ALA A 19 1.117 2.228 -6.769 1.00 0.00 C ATOM 0 H ALA A 19 2.078 0.155 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 19 0.461 0.624 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.580 2.979 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.147 2.167 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.109 2.507 -7.823 1.00 0.00 H new ATOM 295 N THR A 20 -1.242 0.540 -8.295 1.00 0.00 N ATOM 296 CA THR A 20 -2.586 0.515 -8.848 1.00 0.00 C ATOM 297 C THR A 20 -3.393 -0.631 -8.236 1.00 0.00 C ATOM 298 O THR A 20 -4.462 -0.409 -7.668 1.00 0.00 O ATOM 299 CB THR A 20 -2.470 0.431 -10.371 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.590 1.783 -10.803 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.667 -0.273 -11.012 1.00 0.00 C ATOM 0 H THR A 20 -0.507 0.271 -8.949 1.00 0.00 H new ATOM 0 HA THR A 20 -3.133 1.425 -8.599 1.00 0.00 H new ATOM 0 HB THR A 20 -1.554 -0.097 -10.636 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.701 2.140 -11.011 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.534 -0.305 -12.093 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.741 -1.289 -10.625 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.580 0.273 -10.775 1.00 0.00 H new ATOM 309 N MET A 21 -2.853 -1.833 -8.373 1.00 0.00 N ATOM 310 CA MET A 21 -3.509 -3.014 -7.841 1.00 0.00 C ATOM 311 C MET A 21 -3.773 -2.866 -6.341 1.00 0.00 C ATOM 312 O MET A 21 -4.873 -3.155 -5.870 1.00 0.00 O ATOM 313 CB MET A 21 -2.629 -4.242 -8.086 1.00 0.00 C ATOM 314 CG MET A 21 -2.441 -4.492 -9.583 1.00 0.00 C ATOM 315 SD MET A 21 -1.956 -6.187 -9.863 1.00 0.00 S ATOM 316 CE MET A 21 -3.529 -7.001 -9.635 1.00 0.00 C ATOM 0 H MET A 21 -1.967 -2.014 -8.846 1.00 0.00 H new ATOM 0 HA MET A 21 -4.466 -3.135 -8.349 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.658 -4.098 -7.613 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.083 -5.118 -7.622 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.368 -4.278 -10.115 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.682 -3.818 -9.980 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.418 -7.811 -8.914 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.260 -6.283 -9.264 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.870 -7.407 -10.587 1.00 0.00 H new ATOM 326 N LEU A 22 -2.748 -2.417 -5.633 1.00 0.00 N ATOM 327 CA LEU A 22 -2.856 -2.228 -4.197 1.00 0.00 C ATOM 328 C LEU A 22 -3.952 -1.201 -3.904 1.00 0.00 C ATOM 329 O LEU A 22 -4.835 -1.448 -3.083 1.00 0.00 O ATOM 330 CB LEU A 22 -1.495 -1.861 -3.601 1.00 0.00 C ATOM 331 CG LEU A 22 -0.943 -2.823 -2.547 1.00 0.00 C ATOM 332 CD1 LEU A 22 0.006 -3.842 -3.180 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.280 -2.058 -1.399 1.00 0.00 C ATOM 0 H LEU A 22 -1.838 -2.178 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.151 -3.158 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.772 -1.790 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.571 -0.869 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.778 -3.380 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.385 -4.514 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.530 -4.419 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.841 -3.320 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.104 -2.766 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.542 -1.458 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.013 -1.405 -0.926 1.00 0.00 H new ATOM 345 N VAL A 23 -3.860 -0.072 -4.589 1.00 0.00 N ATOM 346 CA VAL A 23 -4.833 0.993 -4.413 1.00 0.00 C ATOM 347 C VAL A 23 -6.215 0.489 -4.832 1.00 0.00 C ATOM 348 O VAL A 23 -7.211 0.768 -4.165 1.00 0.00 O ATOM 349 CB VAL A 23 -4.392 2.239 -5.183 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.600 3.071 -5.617 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.416 3.077 -4.355 1.00 0.00 C ATOM 0 H VAL A 23 -3.126 0.129 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.896 1.282 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.872 1.911 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.259 3.951 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.242 2.471 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.161 3.385 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.118 3.957 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.900 3.391 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.534 2.481 -4.119 1.00 0.00 H new ATOM 361 N GLN A 24 -6.233 -0.244 -5.936 1.00 0.00 N ATOM 362 CA GLN A 24 -7.477 -0.789 -6.453 1.00 0.00 C ATOM 363 C GLN A 24 -8.100 -1.746 -5.434 1.00 0.00 C ATOM 364 O GLN A 24 -9.211 -1.515 -4.958 1.00 0.00 O ATOM 365 CB GLN A 24 -7.254 -1.487 -7.796 1.00 0.00 C ATOM 366 CG GLN A 24 -8.494 -1.377 -8.684 1.00 0.00 C ATOM 367 CD GLN A 24 -8.352 -2.244 -9.935 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.020 -3.252 -10.104 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.447 -1.800 -10.802 1.00 0.00 N ATOM 0 H GLN A 24 -5.406 -0.473 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.171 0.035 -6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.398 -1.042 -8.304 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.014 -2.537 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.376 -1.685 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.647 -0.337 -8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.922 -0.949 -10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.278 -2.310 -11.669 1.00 0.00 H new ATOM 378 N THR A 25 -7.358 -2.801 -5.131 1.00 0.00 N ATOM 379 CA THR A 25 -7.825 -3.795 -4.178 1.00 0.00 C ATOM 380 C THR A 25 -8.150 -3.135 -2.836 1.00 0.00 C ATOM 381 O THR A 25 -9.054 -3.574 -2.128 1.00 0.00 O ATOM 382 CB THR A 25 -6.760 -4.887 -4.075 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.311 -5.980 -4.804 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.610 -5.428 -2.651 1.00 0.00 C ATOM 0 H THR A 25 -6.437 -2.990 -5.528 1.00 0.00 H new ATOM 0 HA THR A 25 -8.754 -4.257 -4.511 1.00 0.00 H new ATOM 0 HB THR A 25 -5.803 -4.492 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.683 -6.732 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.841 -6.200 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.324 -4.617 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.558 -5.853 -2.321 1.00 0.00 H new ATOM 392 N ALA A 26 -7.395 -2.091 -2.528 1.00 0.00 N ATOM 393 CA ALA A 26 -7.591 -1.366 -1.284 1.00 0.00 C ATOM 394 C ALA A 26 -8.927 -0.623 -1.337 1.00 0.00 C ATOM 395 O ALA A 26 -9.649 -0.564 -0.342 1.00 0.00 O ATOM 396 CB ALA A 26 -6.409 -0.424 -1.050 1.00 0.00 C ATOM 0 H ALA A 26 -6.646 -1.730 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.630 -2.055 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.556 0.120 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.488 -1.004 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.339 0.284 -1.876 1.00 0.00 H new ATOM 402 N SER A 27 -9.218 -0.077 -2.508 1.00 0.00 N ATOM 403 CA SER A 27 -10.455 0.659 -2.704 1.00 0.00 C ATOM 404 C SER A 27 -11.613 -0.314 -2.934 1.00 0.00 C ATOM 405 O SER A 27 -12.692 -0.146 -2.368 1.00 0.00 O ATOM 406 CB SER A 27 -10.338 1.632 -3.879 1.00 0.00 C ATOM 407 OG SER A 27 -9.126 2.379 -3.834 1.00 0.00 O ATOM 0 H SER A 27 -8.618 -0.130 -3.331 1.00 0.00 H new ATOM 0 HA SER A 27 -10.652 1.241 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.387 1.077 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.186 2.316 -3.869 1.00 0.00 H new ATOM 0 HG SER A 27 -8.421 1.887 -4.305 1.00 0.00 H new ATOM 413 N LYS A 28 -11.350 -1.311 -3.766 1.00 0.00 N ATOM 414 CA LYS A 28 -12.356 -2.311 -4.078 1.00 0.00 C ATOM 415 C LYS A 28 -13.216 -2.567 -2.840 1.00 0.00 C ATOM 416 O LYS A 28 -14.423 -2.781 -2.950 1.00 0.00 O ATOM 417 CB LYS A 28 -11.700 -3.574 -4.641 1.00 0.00 C ATOM 418 CG LYS A 28 -10.976 -3.275 -5.956 1.00 0.00 C ATOM 419 CD LYS A 28 -11.812 -3.726 -7.157 1.00 0.00 C ATOM 420 CE LYS A 28 -11.940 -5.249 -7.195 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.609 -5.884 -7.076 1.00 0.00 N ATOM 0 H LYS A 28 -10.454 -1.447 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.022 -1.948 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.993 -3.975 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.458 -4.340 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.774 -2.206 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.012 -3.783 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.803 -3.275 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.350 -3.373 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.584 -5.586 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.414 -5.557 -8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.664 -6.870 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.923 -5.364 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.303 -5.865 -6.082 1.00 0.00 H new ATOM 435 N PHE A 29 -12.563 -2.535 -1.687 1.00 0.00 N ATOM 436 CA PHE A 29 -13.253 -2.760 -0.428 1.00 0.00 C ATOM 437 C PHE A 29 -14.052 -1.522 -0.013 1.00 0.00 C ATOM 438 O PHE A 29 -14.397 -0.691 -0.850 1.00 0.00 O ATOM 439 CB PHE A 29 -12.181 -3.038 0.627 1.00 0.00 C ATOM 440 CG PHE A 29 -11.400 -4.333 0.394 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.026 -5.535 0.513 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.081 -4.283 0.066 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.301 -6.737 0.296 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.357 -5.484 -0.150 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.981 -6.686 -0.031 1.00 0.00 C ATOM 0 H PHE A 29 -11.563 -2.356 -1.599 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.949 -3.593 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.481 -2.203 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.654 -3.082 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.074 -5.575 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.584 -3.329 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.797 -7.692 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.309 -5.443 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.429 -7.600 -0.196 1.00 0.00 H new ATOM 455 N ASP A 30 -14.323 -1.440 1.282 1.00 0.00 N ATOM 456 CA ASP A 30 -15.074 -0.319 1.819 1.00 0.00 C ATOM 457 C ASP A 30 -14.200 0.444 2.818 1.00 0.00 C ATOM 458 O ASP A 30 -14.029 1.655 2.698 1.00 0.00 O ATOM 459 CB ASP A 30 -16.326 -0.798 2.556 1.00 0.00 C ATOM 460 CG ASP A 30 -16.927 0.213 3.536 1.00 0.00 C ATOM 461 OD1 ASP A 30 -17.673 1.121 3.139 1.00 0.00 O ATOM 462 OD2 ASP A 30 -16.596 0.040 4.770 1.00 0.00 O ATOM 0 H ASP A 30 -14.036 -2.132 1.974 1.00 0.00 H new ATOM 0 HA ASP A 30 -15.368 0.320 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.084 -1.062 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.082 -1.709 3.102 1.00 0.00 H new ATOM 468 N SER A 31 -13.671 -0.298 3.778 1.00 0.00 N ATOM 469 CA SER A 31 -12.819 0.293 4.797 1.00 0.00 C ATOM 470 C SER A 31 -11.951 1.391 4.180 1.00 0.00 C ATOM 471 O SER A 31 -11.712 1.394 2.973 1.00 0.00 O ATOM 472 CB SER A 31 -11.940 -0.768 5.463 1.00 0.00 C ATOM 473 OG SER A 31 -12.528 -2.064 5.401 1.00 0.00 O ATOM 0 H SER A 31 -13.815 -1.303 3.873 1.00 0.00 H new ATOM 0 HA SER A 31 -13.457 0.731 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.965 -0.789 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.770 -0.496 6.505 1.00 0.00 H new ATOM 0 HG SER A 31 -12.240 -2.515 4.580 1.00 0.00 H new ATOM 479 N ASP A 32 -11.502 2.297 5.035 1.00 0.00 N ATOM 480 CA ASP A 32 -10.664 3.397 4.589 1.00 0.00 C ATOM 481 C ASP A 32 -9.195 3.044 4.828 1.00 0.00 C ATOM 482 O ASP A 32 -8.642 3.352 5.882 1.00 0.00 O ATOM 483 CB ASP A 32 -10.975 4.676 5.369 1.00 0.00 C ATOM 484 CG ASP A 32 -12.334 5.307 5.060 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.344 4.998 5.709 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.331 6.163 4.095 1.00 0.00 O ATOM 0 H ASP A 32 -11.703 2.292 6.035 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.860 3.562 3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.928 4.454 6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.195 5.409 5.162 1.00 0.00 H new ATOM 492 N ILE A 33 -8.604 2.401 3.831 1.00 0.00 N ATOM 493 CA ILE A 33 -7.209 2.002 3.919 1.00 0.00 C ATOM 494 C ILE A 33 -6.319 3.201 3.588 1.00 0.00 C ATOM 495 O ILE A 33 -6.692 4.053 2.784 1.00 0.00 O ATOM 496 CB ILE A 33 -6.946 0.778 3.040 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.952 -0.336 3.335 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.500 0.299 3.185 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.771 -0.682 2.090 1.00 0.00 C ATOM 0 H ILE A 33 -9.066 2.146 2.958 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.963 1.694 4.935 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.085 1.069 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.425 -1.223 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.620 -0.024 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.340 -0.572 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.821 1.097 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.308 0.031 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.478 -1.477 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.316 0.201 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.103 -1.017 1.297 1.00 0.00 H new ATOM 511 N GLN A 34 -5.158 3.229 4.226 1.00 0.00 N ATOM 512 CA GLN A 34 -4.211 4.309 4.009 1.00 0.00 C ATOM 513 C GLN A 34 -2.799 3.748 3.821 1.00 0.00 C ATOM 514 O GLN A 34 -2.441 2.742 4.433 1.00 0.00 O ATOM 515 CB GLN A 34 -4.252 5.314 5.162 1.00 0.00 C ATOM 516 CG GLN A 34 -2.870 5.475 5.798 1.00 0.00 C ATOM 517 CD GLN A 34 -2.875 6.592 6.843 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.963 7.815 6.328 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 -2.806 6.359 8.039 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.852 2.521 4.893 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.495 4.837 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.602 6.279 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.966 4.980 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.569 4.537 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.134 5.698 5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.740 5.396 8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.814 7.128 8.710 1.00 0.00 H new ATOM 528 N LEU A 35 -2.036 4.421 2.973 1.00 0.00 N ATOM 529 CA LEU A 35 -0.673 4.003 2.697 1.00 0.00 C ATOM 530 C LEU A 35 0.287 4.784 3.597 1.00 0.00 C ATOM 531 O LEU A 35 0.105 5.981 3.814 1.00 0.00 O ATOM 532 CB LEU A 35 -0.363 4.136 1.205 1.00 0.00 C ATOM 533 CG LEU A 35 0.553 3.063 0.613 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.247 3.573 -0.653 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.556 2.561 1.654 1.00 0.00 C ATOM 0 H LEU A 35 -2.337 5.254 2.467 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.543 2.947 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.305 4.125 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.094 5.111 1.034 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.062 2.211 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.892 2.791 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.496 3.841 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.847 4.450 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.194 1.799 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.170 3.393 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.019 2.133 2.500 1.00 0.00 H new ATOM 547 N GLU A 36 1.290 4.074 4.095 1.00 0.00 N ATOM 548 CA GLU A 36 2.279 4.686 4.966 1.00 0.00 C ATOM 549 C GLU A 36 3.684 4.215 4.587 1.00 0.00 C ATOM 550 O GLU A 36 3.859 3.094 4.113 1.00 0.00 O ATOM 551 CB GLU A 36 1.977 4.384 6.435 1.00 0.00 C ATOM 552 CG GLU A 36 3.161 4.763 7.327 1.00 0.00 C ATOM 553 CD GLU A 36 2.925 4.317 8.771 1.00 0.00 C ATOM 554 OE1 GLU A 36 3.019 3.117 9.073 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.633 5.265 9.594 1.00 0.00 O ATOM 0 H GLU A 36 1.438 3.082 3.912 1.00 0.00 H new ATOM 0 HA GLU A 36 2.232 5.767 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.090 4.935 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.752 3.324 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.071 4.302 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.313 5.842 7.296 1.00 0.00 H new ATOM 563 N TYR A 37 4.649 5.095 4.809 1.00 0.00 N ATOM 564 CA TYR A 37 6.033 4.783 4.497 1.00 0.00 C ATOM 565 C TYR A 37 6.990 5.611 5.357 1.00 0.00 C ATOM 566 O TYR A 37 7.145 6.812 5.139 1.00 0.00 O ATOM 567 CB TYR A 37 6.230 5.162 3.027 1.00 0.00 C ATOM 568 CG TYR A 37 7.674 5.031 2.539 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.449 3.968 2.953 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.201 5.978 1.683 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.808 3.845 2.494 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.560 5.856 1.223 1.00 0.00 C ATOM 573 CZ TYR A 37 10.297 4.795 1.652 1.00 0.00 C ATOM 574 OH TYR A 37 11.581 4.679 1.217 1.00 0.00 O ATOM 0 H TYR A 37 4.500 6.025 5.201 1.00 0.00 H new ATOM 0 HA TYR A 37 6.241 3.731 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.590 4.530 2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.899 6.190 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.036 3.227 3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.594 6.810 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.425 3.017 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.985 6.589 0.553 1.00 0.00 H new ATOM 0 HH TYR A 37 11.611 4.812 0.246 1.00 0.00 H new ATOM 584 N ASN A 38 7.606 4.937 6.317 1.00 0.00 N ATOM 585 CA ASN A 38 8.543 5.596 7.211 1.00 0.00 C ATOM 586 C ASN A 38 7.890 6.852 7.792 1.00 0.00 C ATOM 587 O ASN A 38 8.472 7.935 7.750 1.00 0.00 O ATOM 588 CB ASN A 38 9.808 6.023 6.465 1.00 0.00 C ATOM 589 CG ASN A 38 9.475 6.992 5.329 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.678 6.491 4.114 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 9.060 8.120 5.542 1.00 0.00 N flip ATOM 0 H ASN A 38 7.475 3.941 6.495 1.00 0.00 H new ATOM 0 HA ASN A 38 8.809 4.892 7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.502 6.496 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.311 5.144 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.927 8.442 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.847 8.741 4.761 1.00 0.00 H new ATOM 598 N GLY A 39 6.689 6.666 8.320 1.00 0.00 N ATOM 599 CA GLY A 39 5.951 7.770 8.909 1.00 0.00 C ATOM 600 C GLY A 39 5.281 8.620 7.828 1.00 0.00 C ATOM 601 O GLY A 39 4.630 9.619 8.133 1.00 0.00 O ATOM 0 H GLY A 39 6.209 5.767 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.195 7.383 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.626 8.391 9.498 1.00 0.00 H new ATOM 605 N LYS A 40 5.464 8.194 6.587 1.00 0.00 N ATOM 606 CA LYS A 40 4.886 8.904 5.459 1.00 0.00 C ATOM 607 C LYS A 40 3.565 8.239 5.067 1.00 0.00 C ATOM 608 O LYS A 40 3.542 7.348 4.218 1.00 0.00 O ATOM 609 CB LYS A 40 5.893 8.996 4.310 1.00 0.00 C ATOM 610 CG LYS A 40 6.075 10.446 3.856 1.00 0.00 C ATOM 611 CD LYS A 40 7.126 11.159 4.709 1.00 0.00 C ATOM 612 CE LYS A 40 7.357 12.588 4.213 1.00 0.00 C ATOM 613 NZ LYS A 40 8.553 12.647 3.344 1.00 0.00 N ATOM 0 H LYS A 40 6.005 7.366 6.338 1.00 0.00 H new ATOM 0 HA LYS A 40 4.657 9.934 5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.852 8.588 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.551 8.389 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.376 10.468 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.125 10.975 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.802 11.179 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.063 10.603 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.482 12.934 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.484 13.258 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.696 13.623 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.388 12.337 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.417 12.022 2.524 1.00 0.00 H new ATOM 627 N LYS A 41 2.497 8.697 5.701 1.00 0.00 N ATOM 628 CA LYS A 41 1.175 8.158 5.429 1.00 0.00 C ATOM 629 C LYS A 41 0.535 8.943 4.282 1.00 0.00 C ATOM 630 O LYS A 41 0.779 10.140 4.132 1.00 0.00 O ATOM 631 CB LYS A 41 0.332 8.138 6.705 1.00 0.00 C ATOM 632 CG LYS A 41 1.079 7.441 7.845 1.00 0.00 C ATOM 633 CD LYS A 41 2.012 8.417 8.565 1.00 0.00 C ATOM 634 CE LYS A 41 1.730 8.436 10.069 1.00 0.00 C ATOM 635 NZ LYS A 41 2.896 7.920 10.821 1.00 0.00 N ATOM 0 H LYS A 41 2.519 9.436 6.403 1.00 0.00 H new ATOM 0 HA LYS A 41 1.246 7.120 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.085 9.158 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.610 7.624 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.363 7.026 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.656 6.605 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.049 8.131 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.884 9.419 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.504 9.453 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.851 7.830 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.682 7.924 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.104 6.948 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.722 8.525 10.639 1.00 0.00 H new ATOM 649 N VAL A 42 -0.269 8.237 3.502 1.00 0.00 N ATOM 650 CA VAL A 42 -0.946 8.853 2.372 1.00 0.00 C ATOM 651 C VAL A 42 -2.268 8.126 2.118 1.00 0.00 C ATOM 652 O VAL A 42 -2.737 7.367 2.965 1.00 0.00 O ATOM 653 CB VAL A 42 -0.024 8.861 1.152 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.447 8.865 1.575 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.326 7.680 0.228 1.00 0.00 C ATOM 0 H VAL A 42 -0.468 7.245 3.629 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.184 9.894 2.590 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.214 9.779 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.081 8.871 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.651 9.753 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.658 7.974 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.344 7.710 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.178 6.746 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.359 7.741 -0.115 1.00 0.00 H new ATOM 665 N ASN A 43 -2.833 8.384 0.948 1.00 0.00 N ATOM 666 CA ASN A 43 -4.092 7.764 0.570 1.00 0.00 C ATOM 667 C ASN A 43 -3.810 6.522 -0.277 1.00 0.00 C ATOM 668 O ASN A 43 -3.273 6.627 -1.379 1.00 0.00 O ATOM 669 CB ASN A 43 -4.948 8.720 -0.262 1.00 0.00 C ATOM 670 CG ASN A 43 -6.375 8.797 0.288 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.123 7.735 0.001 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.770 9.756 0.929 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.442 9.015 0.248 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.627 7.503 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.499 9.713 -0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.971 8.384 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.143 10.539 1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.727 9.775 1.280 1.00 0.00 H new ATOM 679 N LEU A 44 -4.184 5.375 0.270 1.00 0.00 N ATOM 680 CA LEU A 44 -3.979 4.114 -0.423 1.00 0.00 C ATOM 681 C LEU A 44 -5.026 3.968 -1.530 1.00 0.00 C ATOM 682 O LEU A 44 -5.267 2.865 -2.019 1.00 0.00 O ATOM 683 CB LEU A 44 -3.970 2.951 0.573 1.00 0.00 C ATOM 684 CG LEU A 44 -3.908 1.549 -0.035 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.116 1.553 -1.345 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.349 0.540 0.970 1.00 0.00 C ATOM 0 H LEU A 44 -4.628 5.292 1.185 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.002 4.099 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.116 3.075 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.867 3.019 1.189 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.924 1.236 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.087 0.544 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.597 2.222 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.099 1.896 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.316 -0.449 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.343 0.838 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.990 0.511 1.851 1.00 0.00 H new ATOM 698 N LYS A 45 -5.619 5.095 -1.891 1.00 0.00 N ATOM 699 CA LYS A 45 -6.635 5.106 -2.930 1.00 0.00 C ATOM 700 C LYS A 45 -6.168 5.997 -4.083 1.00 0.00 C ATOM 701 O LYS A 45 -6.914 6.232 -5.033 1.00 0.00 O ATOM 702 CB LYS A 45 -7.991 5.512 -2.350 1.00 0.00 C ATOM 703 CG LYS A 45 -8.132 5.039 -0.902 1.00 0.00 C ATOM 704 CD LYS A 45 -9.036 3.807 -0.813 1.00 0.00 C ATOM 705 CE LYS A 45 -10.343 4.137 -0.089 1.00 0.00 C ATOM 706 NZ LYS A 45 -11.345 3.072 -0.319 1.00 0.00 N ATOM 0 H LYS A 45 -5.416 6.008 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.776 4.104 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.100 6.596 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.791 5.086 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.149 4.803 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.545 5.842 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.254 3.439 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.516 3.007 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.157 4.245 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.731 5.092 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.220 3.303 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.548 3.000 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.972 2.164 0.025 1.00 0.00 H new ATOM 720 N SER A 46 -4.936 6.469 -3.963 1.00 0.00 N ATOM 721 CA SER A 46 -4.360 7.328 -4.984 1.00 0.00 C ATOM 722 C SER A 46 -2.950 6.852 -5.336 1.00 0.00 C ATOM 723 O SER A 46 -2.211 6.395 -4.466 1.00 0.00 O ATOM 724 CB SER A 46 -4.328 8.786 -4.521 1.00 0.00 C ATOM 725 OG SER A 46 -4.289 9.694 -5.619 1.00 0.00 O ATOM 0 H SER A 46 -4.320 6.273 -3.174 1.00 0.00 H new ATOM 0 HA SER A 46 -4.987 7.270 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.208 8.992 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.456 8.946 -3.887 1.00 0.00 H new ATOM 0 HG SER A 46 -4.271 10.614 -5.282 1.00 0.00 H new ATOM 731 N ILE A 47 -2.619 6.975 -6.613 1.00 0.00 N ATOM 732 CA ILE A 47 -1.311 6.564 -7.091 1.00 0.00 C ATOM 733 C ILE A 47 -0.308 7.696 -6.861 1.00 0.00 C ATOM 734 O ILE A 47 0.739 7.488 -6.250 1.00 0.00 O ATOM 735 CB ILE A 47 -1.393 6.101 -8.547 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.810 4.697 -8.710 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.724 7.112 -9.481 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.512 3.700 -7.785 1.00 0.00 C ATOM 0 H ILE A 47 -3.235 7.354 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.954 5.703 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.444 6.047 -8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.915 4.374 -9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.257 4.715 -8.489 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.796 6.760 -10.510 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.224 8.076 -9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.325 7.221 -9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.078 2.709 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.384 4.013 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.575 3.667 -8.025 1.00 0.00 H new ATOM 750 N MET A 48 -0.665 8.869 -7.361 1.00 0.00 N ATOM 751 CA MET A 48 0.191 10.035 -7.217 1.00 0.00 C ATOM 752 C MET A 48 0.886 10.041 -5.854 1.00 0.00 C ATOM 753 O MET A 48 2.008 10.528 -5.728 1.00 0.00 O ATOM 754 CB MET A 48 -0.648 11.306 -7.367 1.00 0.00 C ATOM 755 CG MET A 48 -1.005 11.557 -8.833 1.00 0.00 C ATOM 756 SD MET A 48 -0.370 13.143 -9.353 1.00 0.00 S ATOM 757 CE MET A 48 0.918 12.610 -10.469 1.00 0.00 C ATOM 0 H MET A 48 -1.535 9.038 -7.866 1.00 0.00 H new ATOM 0 HA MET A 48 0.955 9.999 -7.993 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.560 11.216 -6.777 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.096 12.159 -6.972 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.589 10.767 -9.458 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.087 11.529 -8.962 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.421 13.482 -10.887 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.640 12.000 -9.926 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.480 12.022 -11.276 1.00 0.00 H new ATOM 767 N GLY A 49 0.191 9.492 -4.869 1.00 0.00 N ATOM 768 CA GLY A 49 0.728 9.427 -3.521 1.00 0.00 C ATOM 769 C GLY A 49 1.616 8.195 -3.342 1.00 0.00 C ATOM 770 O GLY A 49 2.773 8.312 -2.942 1.00 0.00 O ATOM 0 H GLY A 49 -0.739 9.088 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.304 10.328 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.090 9.397 -2.801 1.00 0.00 H new ATOM 774 N VAL A 50 1.042 7.042 -3.649 1.00 0.00 N ATOM 775 CA VAL A 50 1.768 5.789 -3.529 1.00 0.00 C ATOM 776 C VAL A 50 3.037 5.855 -4.381 1.00 0.00 C ATOM 777 O VAL A 50 4.049 5.245 -4.043 1.00 0.00 O ATOM 778 CB VAL A 50 0.857 4.618 -3.902 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.622 3.293 -3.864 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.372 4.567 -2.993 1.00 0.00 C ATOM 0 H VAL A 50 0.082 6.949 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 50 2.078 5.625 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 50 0.512 4.776 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.951 2.477 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.450 3.330 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.011 3.126 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.002 3.725 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.054 4.445 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.937 5.494 -3.093 1.00 0.00 H new ATOM 790 N MET A 51 2.940 6.602 -5.472 1.00 0.00 N ATOM 791 CA MET A 51 4.067 6.756 -6.375 1.00 0.00 C ATOM 792 C MET A 51 5.103 7.724 -5.800 1.00 0.00 C ATOM 793 O MET A 51 6.295 7.424 -5.780 1.00 0.00 O ATOM 794 CB MET A 51 3.572 7.281 -7.725 1.00 0.00 C ATOM 795 CG MET A 51 2.587 6.301 -8.365 1.00 0.00 C ATOM 796 SD MET A 51 2.547 6.545 -10.134 1.00 0.00 S ATOM 797 CE MET A 51 4.295 6.513 -10.490 1.00 0.00 C ATOM 0 H MET A 51 2.098 7.107 -5.750 1.00 0.00 H new ATOM 0 HA MET A 51 4.540 5.782 -6.504 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.091 8.249 -7.589 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.420 7.438 -8.392 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.881 5.276 -8.137 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.591 6.448 -7.947 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.457 6.091 -11.482 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.691 7.528 -10.458 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.806 5.900 -9.748 1.00 0.00 H new ATOM 807 N SER A 52 4.609 8.867 -5.347 1.00 0.00 N ATOM 808 CA SER A 52 5.477 9.882 -4.773 1.00 0.00 C ATOM 809 C SER A 52 5.922 9.457 -3.372 1.00 0.00 C ATOM 810 O SER A 52 6.604 10.211 -2.678 1.00 0.00 O ATOM 811 CB SER A 52 4.775 11.240 -4.717 1.00 0.00 C ATOM 812 OG SER A 52 4.298 11.646 -5.997 1.00 0.00 O ATOM 0 H SER A 52 3.619 9.113 -5.366 1.00 0.00 H new ATOM 0 HA SER A 52 6.354 9.983 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.940 11.188 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.466 11.990 -4.333 1.00 0.00 H new ATOM 0 HG SER A 52 3.322 11.558 -6.026 1.00 0.00 H new ATOM 818 N LEU A 53 5.519 8.252 -2.997 1.00 0.00 N ATOM 819 CA LEU A 53 5.868 7.719 -1.691 1.00 0.00 C ATOM 820 C LEU A 53 7.278 7.129 -1.746 1.00 0.00 C ATOM 821 O LEU A 53 7.731 6.501 -0.790 1.00 0.00 O ATOM 822 CB LEU A 53 4.805 6.726 -1.216 1.00 0.00 C ATOM 823 CG LEU A 53 3.739 7.285 -0.272 1.00 0.00 C ATOM 824 CD1 LEU A 53 2.810 6.175 0.224 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.380 8.056 0.884 1.00 0.00 C ATOM 0 H LEU A 53 4.954 7.629 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 53 5.883 8.515 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.305 6.313 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.307 5.898 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 53 3.126 7.993 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.061 6.599 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.313 5.709 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.392 5.425 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.600 8.443 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.032 7.389 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.965 8.886 0.488 1.00 0.00 H new ATOM 837 N GLY A 54 7.936 7.353 -2.875 1.00 0.00 N ATOM 838 CA GLY A 54 9.286 6.852 -3.067 1.00 0.00 C ATOM 839 C GLY A 54 9.461 5.482 -2.409 1.00 0.00 C ATOM 840 O GLY A 54 10.436 5.252 -1.695 1.00 0.00 O ATOM 0 H GLY A 54 7.559 7.875 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.502 6.778 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.003 7.556 -2.645 1.00 0.00 H new ATOM 844 N VAL A 55 8.502 4.607 -2.673 1.00 0.00 N ATOM 845 CA VAL A 55 8.537 3.265 -2.117 1.00 0.00 C ATOM 846 C VAL A 55 9.754 2.521 -2.669 1.00 0.00 C ATOM 847 O VAL A 55 9.609 1.507 -3.350 1.00 0.00 O ATOM 848 CB VAL A 55 7.217 2.546 -2.399 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.131 1.233 -1.618 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.022 3.450 -2.087 1.00 0.00 C ATOM 0 H VAL A 55 7.695 4.802 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 55 8.644 3.304 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 55 7.186 2.306 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.183 0.741 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.954 0.581 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.195 1.440 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.096 2.914 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.046 3.735 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.071 4.345 -2.707 1.00 0.00 H new ATOM 860 N GLY A 56 10.926 3.054 -2.357 1.00 0.00 N ATOM 861 CA GLY A 56 12.168 2.452 -2.813 1.00 0.00 C ATOM 862 C GLY A 56 12.380 1.078 -2.173 1.00 0.00 C ATOM 863 O GLY A 56 11.674 0.711 -1.235 1.00 0.00 O ATOM 0 H GLY A 56 11.042 3.896 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.151 2.353 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.005 3.105 -2.566 1.00 0.00 H new ATOM 867 N LYS A 57 13.354 0.356 -2.707 1.00 0.00 N ATOM 868 CA LYS A 57 13.668 -0.969 -2.200 1.00 0.00 C ATOM 869 C LYS A 57 14.324 -0.841 -0.824 1.00 0.00 C ATOM 870 O LYS A 57 14.851 0.215 -0.480 1.00 0.00 O ATOM 871 CB LYS A 57 14.510 -1.745 -3.213 1.00 0.00 C ATOM 872 CG LYS A 57 14.223 -3.245 -3.131 1.00 0.00 C ATOM 873 CD LYS A 57 15.330 -4.055 -3.810 1.00 0.00 C ATOM 874 CE LYS A 57 16.644 -3.946 -3.033 1.00 0.00 C ATOM 875 NZ LYS A 57 16.899 -5.187 -2.269 1.00 0.00 N ATOM 0 H LYS A 57 13.936 0.664 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 57 12.757 -1.552 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.297 -1.385 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.568 -1.563 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.136 -3.545 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.266 -3.462 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.030 -5.101 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.475 -3.697 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.467 -3.761 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.602 -3.095 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.794 -5.096 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.122 -5.347 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.961 -5.992 -2.925 1.00 0.00 H new ATOM 889 N ASP A 58 14.271 -1.932 -0.074 1.00 0.00 N ATOM 890 CA ASP A 58 14.854 -1.956 1.256 1.00 0.00 C ATOM 891 C ASP A 58 14.104 -0.970 2.154 1.00 0.00 C ATOM 892 O ASP A 58 14.484 -0.760 3.305 1.00 0.00 O ATOM 893 CB ASP A 58 16.324 -1.537 1.221 1.00 0.00 C ATOM 894 CG ASP A 58 16.911 -1.118 2.570 1.00 0.00 C ATOM 895 OD1 ASP A 58 16.908 -1.896 3.537 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.391 0.078 2.608 1.00 0.00 O ATOM 0 H ASP A 58 13.833 -2.807 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 58 14.778 -2.974 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.913 -2.366 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.433 -0.708 0.522 1.00 0.00 H new ATOM 902 N ALA A 59 13.051 -0.392 1.595 1.00 0.00 N ATOM 903 CA ALA A 59 12.244 0.567 2.331 1.00 0.00 C ATOM 904 C ALA A 59 11.020 -0.143 2.912 1.00 0.00 C ATOM 905 O ALA A 59 10.392 -0.958 2.237 1.00 0.00 O ATOM 906 CB ALA A 59 11.863 1.727 1.409 1.00 0.00 C ATOM 0 H ALA A 59 12.738 -0.569 0.641 1.00 0.00 H new ATOM 0 HA ALA A 59 12.809 0.985 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.258 2.446 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.767 2.216 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.292 1.346 0.562 1.00 0.00 H new ATOM 912 N GLU A 60 10.717 0.192 4.158 1.00 0.00 N ATOM 913 CA GLU A 60 9.579 -0.403 4.837 1.00 0.00 C ATOM 914 C GLU A 60 8.356 0.508 4.722 1.00 0.00 C ATOM 915 O GLU A 60 8.402 1.668 5.126 1.00 0.00 O ATOM 916 CB GLU A 60 9.908 -0.698 6.302 1.00 0.00 C ATOM 917 CG GLU A 60 11.164 -1.565 6.419 1.00 0.00 C ATOM 918 CD GLU A 60 11.784 -1.446 7.812 1.00 0.00 C ATOM 919 OE1 GLU A 60 12.837 -0.811 7.971 1.00 0.00 O ATOM 920 OE2 GLU A 60 11.132 -2.043 8.752 1.00 0.00 O ATOM 0 H GLU A 60 11.240 0.868 4.715 1.00 0.00 H new ATOM 0 HA GLU A 60 9.347 -1.352 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.057 0.238 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.066 -1.206 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.912 -2.606 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.891 -1.261 5.666 1.00 0.00 H new ATOM 928 N ILE A 61 7.291 -0.052 4.170 1.00 0.00 N ATOM 929 CA ILE A 61 6.056 0.695 3.997 1.00 0.00 C ATOM 930 C ILE A 61 4.979 0.112 4.912 1.00 0.00 C ATOM 931 O ILE A 61 5.186 -0.927 5.538 1.00 0.00 O ATOM 932 CB ILE A 61 5.655 0.732 2.520 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.698 -0.667 1.904 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.519 1.728 1.743 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.566 -0.856 0.893 1.00 0.00 C ATOM 0 H ILE A 61 7.257 -1.015 3.836 1.00 0.00 H new ATOM 0 HA ILE A 61 6.196 1.735 4.292 1.00 0.00 H new ATOM 0 HB ILE A 61 4.624 1.080 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.659 -0.823 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.617 -1.417 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.214 1.735 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.393 2.725 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.566 1.434 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.620 -1.859 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.606 -0.724 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.664 -0.120 0.095 1.00 0.00 H new ATOM 947 N THR A 62 3.850 0.805 4.961 1.00 0.00 N ATOM 948 CA THR A 62 2.740 0.368 5.790 1.00 0.00 C ATOM 949 C THR A 62 1.410 0.813 5.178 1.00 0.00 C ATOM 950 O THR A 62 1.367 1.774 4.412 1.00 0.00 O ATOM 951 CB THR A 62 2.966 0.904 7.205 1.00 0.00 C ATOM 952 OG1 THR A 62 4.170 0.269 7.629 1.00 0.00 O ATOM 953 CG2 THR A 62 1.913 0.406 8.196 1.00 0.00 C ATOM 0 H THR A 62 3.681 1.665 4.440 1.00 0.00 H new ATOM 0 HA THR A 62 2.691 -0.720 5.843 1.00 0.00 H new ATOM 0 HB THR A 62 2.958 1.994 7.185 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.392 0.562 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.121 0.816 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.924 0.729 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.942 -0.683 8.242 1.00 0.00 H new ATOM 961 N ILE A 63 0.359 0.092 5.538 1.00 0.00 N ATOM 962 CA ILE A 63 -0.969 0.400 5.033 1.00 0.00 C ATOM 963 C ILE A 63 -1.983 0.284 6.173 1.00 0.00 C ATOM 964 O ILE A 63 -1.959 -0.682 6.933 1.00 0.00 O ATOM 965 CB ILE A 63 -1.298 -0.477 3.824 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.527 -1.930 4.245 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.218 -0.355 2.747 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.934 -2.396 3.870 1.00 0.00 C ATOM 0 H ILE A 63 0.399 -0.705 6.173 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.012 1.428 4.673 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.230 -0.119 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.788 -2.572 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.383 -2.027 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.477 -0.989 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.148 0.682 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.741 -0.671 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.069 -3.432 4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.671 -1.768 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.067 -2.321 2.791 1.00 0.00 H new ATOM 980 N TYR A 64 -2.850 1.282 6.254 1.00 0.00 N ATOM 981 CA TYR A 64 -3.871 1.303 7.288 1.00 0.00 C ATOM 982 C TYR A 64 -5.251 0.996 6.703 1.00 0.00 C ATOM 983 O TYR A 64 -5.466 1.143 5.501 1.00 0.00 O ATOM 984 CB TYR A 64 -3.874 2.727 7.849 1.00 0.00 C ATOM 985 CG TYR A 64 -2.609 3.091 8.629 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.381 3.078 7.997 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.695 3.432 9.963 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.191 3.421 8.731 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.504 3.775 10.697 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.311 3.751 10.045 1.00 0.00 C ATOM 991 OH TYR A 64 0.814 4.076 10.738 1.00 0.00 O ATOM 0 H TYR A 64 -2.867 2.082 5.621 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.660 0.553 8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.996 3.431 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.738 2.848 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.314 2.811 6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.655 3.442 10.457 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.775 3.416 8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.557 4.045 11.741 1.00 0.00 H new ATOM 0 HH TYR A 64 1.176 4.920 10.396 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.150 0.574 7.579 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.503 0.245 7.165 1.00 0.00 C ATOM 1003 C ALA A 65 -8.450 0.402 8.357 1.00 0.00 C ATOM 1004 O ALA A 65 -8.264 -0.237 9.391 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.528 -1.170 6.583 1.00 0.00 C ATOM 0 H ALA A 65 -5.968 0.452 8.575 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.842 0.926 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.543 -1.418 6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.862 -1.221 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.197 -1.881 7.340 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.445 1.257 8.171 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.422 1.506 9.218 1.00 0.00 C ATOM 1013 C ASP A 66 -11.831 1.400 8.632 1.00 0.00 C ATOM 1014 O ASP A 66 -12.338 2.358 8.051 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.257 2.911 9.801 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.798 3.089 11.222 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.999 2.110 11.956 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.019 4.311 11.572 1.00 0.00 O ATOM 0 H ASP A 66 -9.596 1.786 7.312 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.268 0.768 10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.198 3.168 9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.760 3.622 9.145 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.422 0.227 8.803 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.763 -0.016 8.298 1.00 0.00 C ATOM 1026 C GLY A 67 -14.314 -1.344 8.823 1.00 0.00 C ATOM 1027 O GLY A 67 -13.973 -1.769 9.925 1.00 0.00 O ATOM 0 H GLY A 67 -11.997 -0.566 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.422 0.799 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.748 -0.030 7.208 1.00 0.00 H new ATOM 1031 N SER A 68 -15.158 -1.961 8.008 1.00 0.00 N ATOM 1032 CA SER A 68 -15.759 -3.230 8.377 1.00 0.00 C ATOM 1033 C SER A 68 -14.942 -4.386 7.796 1.00 0.00 C ATOM 1034 O SER A 68 -15.000 -5.506 8.299 1.00 0.00 O ATOM 1035 CB SER A 68 -17.210 -3.312 7.897 1.00 0.00 C ATOM 1036 OG SER A 68 -17.812 -4.561 8.228 1.00 0.00 O ATOM 0 H SER A 68 -15.439 -1.605 7.094 1.00 0.00 H new ATOM 0 HA SER A 68 -15.759 -3.305 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.786 -2.502 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.243 -3.168 6.817 1.00 0.00 H new ATOM 0 HG SER A 68 -18.738 -4.574 7.906 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.198 -4.073 6.745 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.369 -5.070 6.090 1.00 0.00 C ATOM 1044 C ASP A 69 -11.901 -4.658 6.198 1.00 0.00 C ATOM 1045 O ASP A 69 -11.029 -5.293 5.608 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.719 -5.189 4.606 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.084 -5.816 4.310 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.256 -7.041 4.401 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -16.006 -4.981 3.972 1.00 0.00 O ATOM 0 H ASP A 69 -14.152 -3.142 6.331 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.544 -6.028 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.689 -4.195 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.949 -5.783 4.113 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.672 -3.595 6.955 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.323 -3.089 7.148 1.00 0.00 C ATOM 1057 C GLU A 70 -9.321 -4.245 7.165 1.00 0.00 C ATOM 1058 O GLU A 70 -8.320 -4.214 6.452 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.226 -2.260 8.430 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.199 -2.775 9.492 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.923 -2.128 10.850 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -11.301 -0.969 11.073 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.290 -2.875 11.692 1.00 0.00 O ATOM 0 H GLU A 70 -12.398 -3.070 7.442 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.078 -2.434 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.207 -2.299 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.444 -1.215 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.223 -2.562 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.110 -3.858 9.577 1.00 0.00 H new ATOM 1071 N SER A 71 -9.625 -5.237 7.990 1.00 0.00 N ATOM 1072 CA SER A 71 -8.762 -6.401 8.110 1.00 0.00 C ATOM 1073 C SER A 71 -8.688 -7.138 6.771 1.00 0.00 C ATOM 1074 O SER A 71 -7.608 -7.537 6.338 1.00 0.00 O ATOM 1075 CB SER A 71 -9.259 -7.344 9.208 1.00 0.00 C ATOM 1076 OG SER A 71 -8.410 -7.326 10.351 1.00 0.00 O ATOM 0 H SER A 71 -10.456 -5.259 8.581 1.00 0.00 H new ATOM 0 HA SER A 71 -7.764 -6.060 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.269 -7.058 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.317 -8.359 8.815 1.00 0.00 H new ATOM 0 HG SER A 71 -8.366 -6.416 10.712 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.849 -7.294 6.153 1.00 0.00 N ATOM 1083 CA ASP A 72 -9.929 -7.975 4.872 1.00 0.00 C ATOM 1084 C ASP A 72 -9.153 -7.174 3.824 1.00 0.00 C ATOM 1085 O ASP A 72 -8.549 -7.750 2.920 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.380 -8.091 4.399 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.796 -9.484 3.923 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -11.120 -10.483 4.208 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -12.878 -9.520 3.222 1.00 0.00 O ATOM 0 H ASP A 72 -10.742 -6.961 6.515 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.509 -8.973 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.037 -7.791 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.539 -7.383 3.585 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.193 -5.859 3.982 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.501 -4.974 3.060 1.00 0.00 C ATOM 1097 C ALA A 73 -6.991 -5.114 3.263 1.00 0.00 C ATOM 1098 O ALA A 73 -6.221 -5.006 2.310 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.986 -3.539 3.270 1.00 0.00 C ATOM 0 H ALA A 73 -9.693 -5.385 4.734 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.722 -5.246 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.467 -2.875 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.059 -3.487 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.778 -3.231 4.295 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.613 -5.353 4.510 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.209 -5.508 4.849 1.00 0.00 C ATOM 1107 C ILE A 74 -4.713 -6.865 4.343 1.00 0.00 C ATOM 1108 O ILE A 74 -3.558 -6.997 3.944 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.994 -5.296 6.349 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -3.989 -4.171 6.605 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.580 -6.601 7.034 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.648 -3.005 7.344 1.00 0.00 C ATOM 0 H ILE A 74 -7.255 -5.443 5.298 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.611 -4.744 4.353 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.942 -4.988 6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.153 -4.552 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.580 -3.821 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.434 -6.422 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.361 -7.348 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.650 -6.963 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.912 -2.219 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.468 -2.611 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.034 -3.353 8.302 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.613 -7.837 4.376 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.282 -9.178 3.925 1.00 0.00 C ATOM 1126 C GLN A 75 -5.129 -9.205 2.403 1.00 0.00 C ATOM 1127 O GLN A 75 -4.387 -10.025 1.865 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.335 -10.188 4.388 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.184 -10.493 5.879 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.735 -10.842 6.225 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.002 -9.799 6.603 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.310 -11.984 6.151 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.571 -7.723 4.708 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.330 -9.465 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.332 -9.794 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.238 -11.109 3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.503 -9.631 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.836 -11.323 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.927 -12.740 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.338 -12.183 6.387 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.842 -8.296 1.754 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.795 -8.204 0.305 1.00 0.00 C ATOM 1143 C ALA A 76 -4.512 -7.483 -0.115 1.00 0.00 C ATOM 1144 O ALA A 76 -3.876 -7.863 -1.098 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.054 -7.499 -0.204 1.00 0.00 C ATOM 0 H ALA A 76 -6.455 -7.617 2.205 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.776 -9.198 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.018 -7.430 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.935 -8.067 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.107 -6.497 0.221 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.171 -6.458 0.649 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.976 -5.681 0.370 1.00 0.00 C ATOM 1153 C ILE A 77 -1.760 -6.610 0.354 1.00 0.00 C ATOM 1154 O ILE A 77 -1.184 -6.866 -0.702 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.849 -4.518 1.356 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.463 -3.241 0.781 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.392 -4.315 1.779 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.857 -2.994 1.359 1.00 0.00 C ATOM 0 H ILE A 77 -4.702 -6.146 1.462 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.042 -5.224 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.413 -4.769 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.818 -2.391 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.524 -3.320 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.329 -3.483 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.023 -5.222 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.785 -4.096 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.271 -2.080 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.507 -3.834 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.789 -2.891 2.442 1.00 0.00 H new ATOM 1170 N SER A 78 -1.407 -7.089 1.538 1.00 0.00 N ATOM 1171 CA SER A 78 -0.270 -7.983 1.674 1.00 0.00 C ATOM 1172 C SER A 78 -0.251 -8.986 0.517 1.00 0.00 C ATOM 1173 O SER A 78 0.816 -9.385 0.054 1.00 0.00 O ATOM 1174 CB SER A 78 -0.306 -8.721 3.014 1.00 0.00 C ATOM 1175 OG SER A 78 0.930 -8.616 3.715 1.00 0.00 O ATOM 0 H SER A 78 -1.888 -6.875 2.411 1.00 0.00 H new ATOM 0 HA SER A 78 0.640 -7.384 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.108 -8.314 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.537 -9.772 2.843 1.00 0.00 H new ATOM 0 HG SER A 78 0.946 -7.781 4.227 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.446 -9.362 0.084 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.581 -10.309 -1.010 1.00 0.00 C ATOM 1183 C ASP A 79 -1.100 -9.656 -2.307 1.00 0.00 C ATOM 1184 O ASP A 79 -0.323 -10.248 -3.053 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.040 -10.726 -1.201 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.249 -11.977 -2.056 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.433 -12.911 -2.032 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.316 -11.971 -2.781 1.00 0.00 O ATOM 0 H ASP A 79 -2.329 -9.028 0.471 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.984 -11.189 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.485 -10.896 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.582 -9.898 -1.657 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.585 -8.445 -2.536 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.217 -7.704 -3.731 1.00 0.00 C ATOM 1196 C VAL A 80 0.279 -7.386 -3.686 1.00 0.00 C ATOM 1197 O VAL A 80 0.960 -7.437 -4.709 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.091 -6.455 -3.863 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.674 -5.621 -5.077 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.572 -6.829 -3.938 1.00 0.00 C ATOM 0 H VAL A 80 -2.230 -7.958 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.396 -8.304 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.944 -5.846 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.310 -4.739 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.635 -5.311 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.779 -6.219 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.172 -5.924 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.742 -7.468 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.859 -7.362 -3.032 1.00 0.00 H new ATOM 1210 N LEU A 81 0.747 -7.063 -2.489 1.00 0.00 N ATOM 1211 CA LEU A 81 2.150 -6.735 -2.298 1.00 0.00 C ATOM 1212 C LEU A 81 3.005 -7.959 -2.633 1.00 0.00 C ATOM 1213 O LEU A 81 3.956 -7.862 -3.407 1.00 0.00 O ATOM 1214 CB LEU A 81 2.385 -6.188 -0.888 1.00 0.00 C ATOM 1215 CG LEU A 81 1.792 -4.809 -0.596 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.641 -4.584 0.910 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.619 -3.705 -1.260 1.00 0.00 C ATOM 0 H LEU A 81 0.180 -7.021 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 81 2.452 -5.939 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.973 -6.898 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.460 -6.144 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 81 0.793 -4.769 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.217 -3.596 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.980 -5.344 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.618 -4.652 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.176 -2.734 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.639 -3.735 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.631 -3.859 -2.339 1.00 0.00 H new ATOM 1229 N SER A 82 2.636 -9.081 -2.034 1.00 0.00 N ATOM 1230 CA SER A 82 3.358 -10.322 -2.260 1.00 0.00 C ATOM 1231 C SER A 82 3.021 -10.878 -3.645 1.00 0.00 C ATOM 1232 O SER A 82 3.844 -11.550 -4.266 1.00 0.00 O ATOM 1233 CB SER A 82 3.030 -11.354 -1.180 1.00 0.00 C ATOM 1234 OG SER A 82 4.011 -11.375 -0.146 1.00 0.00 O ATOM 0 H SER A 82 1.847 -9.157 -1.392 1.00 0.00 H new ATOM 0 HA SER A 82 4.426 -10.111 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.054 -11.130 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.959 -12.343 -1.633 1.00 0.00 H new ATOM 0 HG SER A 82 3.765 -12.045 0.525 1.00 0.00 H new ATOM 1240 N LYS A 83 1.809 -10.579 -4.090 1.00 0.00 N ATOM 1241 CA LYS A 83 1.353 -11.041 -5.389 1.00 0.00 C ATOM 1242 C LYS A 83 2.319 -10.548 -6.469 1.00 0.00 C ATOM 1243 O LYS A 83 2.661 -11.291 -7.387 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.099 -10.624 -5.627 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.068 -11.640 -5.017 1.00 0.00 C ATOM 1246 CD LYS A 83 -1.962 -12.259 -6.093 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.039 -13.147 -5.466 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.727 -13.942 -6.509 1.00 0.00 N ATOM 0 H LYS A 83 1.129 -10.022 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 83 1.358 -12.130 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.275 -9.641 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.285 -10.536 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.506 -12.425 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.685 -11.152 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.432 -11.469 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.355 -12.848 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.587 -13.813 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.763 -12.530 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.455 -14.539 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.175 -13.301 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.035 -14.545 -6.999 1.00 0.00 H new ATOM 1262 N GLU A 84 2.731 -9.297 -6.321 1.00 0.00 N ATOM 1263 CA GLU A 84 3.651 -8.696 -7.272 1.00 0.00 C ATOM 1264 C GLU A 84 5.091 -9.096 -6.944 1.00 0.00 C ATOM 1265 O GLU A 84 5.854 -9.467 -7.836 1.00 0.00 O ATOM 1266 CB GLU A 84 3.498 -7.174 -7.295 1.00 0.00 C ATOM 1267 CG GLU A 84 2.036 -6.767 -7.099 1.00 0.00 C ATOM 1268 CD GLU A 84 1.551 -5.891 -8.257 1.00 0.00 C ATOM 1269 OE1 GLU A 84 2.141 -5.921 -9.346 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.520 -5.162 -7.993 1.00 0.00 O ATOM 0 H GLU A 84 2.445 -8.684 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 84 3.408 -9.069 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.111 -6.731 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.864 -6.782 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.413 -7.659 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.928 -6.226 -6.159 1.00 0.00 H new ATOM 1278 N GLY A 85 5.419 -9.010 -5.664 1.00 0.00 N ATOM 1279 CA GLY A 85 6.753 -9.360 -5.207 1.00 0.00 C ATOM 1280 C GLY A 85 7.541 -8.110 -4.810 1.00 0.00 C ATOM 1281 O GLY A 85 8.771 -8.114 -4.833 1.00 0.00 O ATOM 0 H GLY A 85 4.783 -8.703 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.684 -10.037 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.283 -9.894 -5.996 1.00 0.00 H new ATOM 1285 N LEU A 86 6.800 -7.071 -4.453 1.00 0.00 N ATOM 1286 CA LEU A 86 7.415 -5.817 -4.052 1.00 0.00 C ATOM 1287 C LEU A 86 7.940 -5.947 -2.620 1.00 0.00 C ATOM 1288 O LEU A 86 8.745 -5.131 -2.175 1.00 0.00 O ATOM 1289 CB LEU A 86 6.438 -4.655 -4.245 1.00 0.00 C ATOM 1290 CG LEU A 86 5.886 -4.471 -5.660 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.462 -3.914 -5.626 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.821 -3.602 -6.504 1.00 0.00 C ATOM 0 H LEU A 86 5.780 -7.072 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 86 8.271 -5.592 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.598 -4.795 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.938 -3.733 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 86 5.837 -5.450 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.094 -3.793 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.814 -4.604 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.461 -2.947 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.406 -3.487 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.925 -2.622 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.799 -4.078 -6.570 1.00 0.00 H new ATOM 1304 N THR A 87 7.462 -6.979 -1.940 1.00 0.00 N ATOM 1305 CA THR A 87 7.873 -7.227 -0.569 1.00 0.00 C ATOM 1306 C THR A 87 8.195 -8.708 -0.368 1.00 0.00 C ATOM 1307 O THR A 87 7.852 -9.541 -1.206 1.00 0.00 O ATOM 1308 CB THR A 87 6.768 -6.713 0.356 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.807 -7.767 0.366 1.00 0.00 O ATOM 1310 CG2 THR A 87 6.010 -5.526 -0.240 1.00 0.00 C ATOM 0 H THR A 87 6.794 -7.653 -2.313 1.00 0.00 H new ATOM 0 HA THR A 87 8.792 -6.693 -0.329 1.00 0.00 H new ATOM 0 HB THR A 87 7.202 -6.423 1.313 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.055 -7.519 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.237 -5.201 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.704 -4.705 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.548 -5.825 -1.181 1.00 0.00 H new ATOM 1318 N LYS A 88 8.851 -8.992 0.747 1.00 0.00 N ATOM 1319 CA LYS A 88 9.224 -10.360 1.069 1.00 0.00 C ATOM 1320 C LYS A 88 9.667 -11.077 -0.208 1.00 0.00 C ATOM 1321 O LYS A 88 10.412 -12.054 -0.149 1.00 0.00 O ATOM 1322 CB LYS A 88 8.085 -11.065 1.808 1.00 0.00 C ATOM 1323 CG LYS A 88 8.202 -10.861 3.319 1.00 0.00 C ATOM 1324 CD LYS A 88 8.882 -12.060 3.984 1.00 0.00 C ATOM 1325 CE LYS A 88 9.214 -11.761 5.447 1.00 0.00 C ATOM 1326 NZ LYS A 88 10.572 -12.246 5.780 1.00 0.00 N ATOM 0 H LYS A 88 9.134 -8.299 1.439 1.00 0.00 H new ATOM 0 HA LYS A 88 10.073 -10.374 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.127 -10.680 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.103 -12.131 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.773 -9.955 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.210 -10.717 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.229 -12.931 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.795 -12.310 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.150 -10.688 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.481 -12.239 6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.781 -12.035 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.621 -13.273 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.269 -11.771 5.172 1.00 0.00 H new