USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 11 LYS NZ :NH3+ 156:sc= 0.811 (180deg=-0.164) USER MOD Set 1.2: A 13 HIS : no HE2:sc= -1.14! K(o=-0.21!,f=-3.7) USER MOD Set 1.3: A 46 TYR OH : rot 0:sc= -0.177 USER MOD Set 1.4: A 57 LYS NZ :NH3+ 154:sc= 0.299 (180deg=-0.00608) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 6 SER OG : rot 23:sc= 0.575 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0435) USER MOD Single : A 44 GLN : amide:sc= -0.683 K(o=-0.68,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.7!) USER MOD Single : A 52 ASN : amide:sc= -0.713 X(o=-0.71,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.076) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.51 X(o=-3.5,f=-3.3!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0168 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.019 -5.398 -33.874 1.00 0.00 N ATOM 2 CA GLY A 1 -18.312 -5.332 -32.609 1.00 0.00 C ATOM 3 C GLY A 1 -16.824 -5.581 -32.761 1.00 0.00 C ATOM 4 O GLY A 1 -16.411 -6.479 -33.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.031 -5.221 -33.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.639 -4.679 -34.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.894 -6.342 -34.293 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.469 -4.351 -32.160 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.732 -6.068 -31.923 1.00 0.00 H new ATOM 8 N SER A 2 -16.018 -4.782 -32.069 1.00 0.00 N ATOM 9 CA SER A 2 -14.567 -4.917 -32.135 1.00 0.00 C ATOM 10 C SER A 2 -13.988 -5.234 -30.760 1.00 0.00 C ATOM 11 O SER A 2 -14.292 -4.560 -29.775 1.00 0.00 O ATOM 12 CB SER A 2 -13.939 -3.633 -32.682 1.00 0.00 C ATOM 13 OG SER A 2 -14.393 -3.365 -33.998 1.00 0.00 O ATOM 0 H SER A 2 -16.345 -4.035 -31.456 1.00 0.00 H new ATOM 0 HA SER A 2 -14.333 -5.743 -32.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.188 -2.796 -32.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.853 -3.726 -32.680 1.00 0.00 H new ATOM 0 HG SER A 2 -13.979 -2.539 -34.325 1.00 0.00 H new ATOM 19 N SER A 3 -13.152 -6.265 -30.701 1.00 0.00 N ATOM 20 CA SER A 3 -12.532 -6.676 -29.447 1.00 0.00 C ATOM 21 C SER A 3 -11.263 -5.871 -29.179 1.00 0.00 C ATOM 22 O SER A 3 -10.157 -6.315 -29.485 1.00 0.00 O ATOM 23 CB SER A 3 -12.204 -8.170 -29.479 1.00 0.00 C ATOM 24 OG SER A 3 -13.357 -8.951 -29.221 1.00 0.00 O ATOM 0 H SER A 3 -12.888 -6.831 -31.507 1.00 0.00 H new ATOM 0 HA SER A 3 -13.241 -6.485 -28.641 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.793 -8.434 -30.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.437 -8.393 -28.738 1.00 0.00 H new ATOM 0 HG SER A 3 -13.121 -9.902 -29.249 1.00 0.00 H new ATOM 30 N GLY A 4 -11.433 -4.684 -28.605 1.00 0.00 N ATOM 31 CA GLY A 4 -10.294 -3.836 -28.305 1.00 0.00 C ATOM 32 C GLY A 4 -9.952 -3.824 -26.828 1.00 0.00 C ATOM 33 O GLY A 4 -10.795 -3.500 -25.992 1.00 0.00 O ATOM 0 H GLY A 4 -12.338 -4.295 -28.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.429 -4.181 -28.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.506 -2.819 -28.634 1.00 0.00 H new ATOM 37 N SER A 5 -8.712 -4.178 -26.506 1.00 0.00 N ATOM 38 CA SER A 5 -8.263 -4.212 -25.120 1.00 0.00 C ATOM 39 C SER A 5 -6.762 -3.955 -25.029 1.00 0.00 C ATOM 40 O SER A 5 -6.077 -3.843 -26.045 1.00 0.00 O ATOM 41 CB SER A 5 -8.600 -5.563 -24.485 1.00 0.00 C ATOM 42 OG SER A 5 -9.999 -5.788 -24.479 1.00 0.00 O ATOM 0 H SER A 5 -8.001 -4.445 -27.186 1.00 0.00 H new ATOM 0 HA SER A 5 -8.783 -3.423 -24.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.102 -6.361 -25.035 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.219 -5.594 -23.464 1.00 0.00 H new ATOM 0 HG SER A 5 -10.189 -6.658 -24.070 1.00 0.00 H new ATOM 48 N SER A 6 -6.256 -3.864 -23.802 1.00 0.00 N ATOM 49 CA SER A 6 -4.838 -3.616 -23.577 1.00 0.00 C ATOM 50 C SER A 6 -4.413 -4.105 -22.195 1.00 0.00 C ATOM 51 O SER A 6 -5.230 -4.202 -21.281 1.00 0.00 O ATOM 52 CB SER A 6 -4.529 -2.125 -23.720 1.00 0.00 C ATOM 53 OG SER A 6 -4.303 -1.778 -25.075 1.00 0.00 O ATOM 0 H SER A 6 -6.808 -3.958 -22.950 1.00 0.00 H new ATOM 0 HA SER A 6 -4.275 -4.169 -24.328 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.359 -1.539 -23.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.650 -1.874 -23.126 1.00 0.00 H new ATOM 0 HG SER A 6 -4.734 -2.438 -25.658 1.00 0.00 H new ATOM 59 N GLY A 7 -3.128 -4.414 -22.053 1.00 0.00 N ATOM 60 CA GLY A 7 -2.617 -4.889 -20.780 1.00 0.00 C ATOM 61 C GLY A 7 -1.561 -3.970 -20.200 1.00 0.00 C ATOM 62 O GLY A 7 -1.227 -2.942 -20.791 1.00 0.00 O ATOM 0 H GLY A 7 -2.432 -4.344 -22.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.441 -4.982 -20.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.195 -5.886 -20.910 1.00 0.00 H new ATOM 66 N LYS A 8 -1.034 -4.337 -19.036 1.00 0.00 N ATOM 67 CA LYS A 8 -0.009 -3.538 -18.374 1.00 0.00 C ATOM 68 C LYS A 8 0.845 -4.404 -17.454 1.00 0.00 C ATOM 69 O LYS A 8 0.355 -5.362 -16.857 1.00 0.00 O ATOM 70 CB LYS A 8 -0.656 -2.406 -17.572 1.00 0.00 C ATOM 71 CG LYS A 8 -0.970 -1.174 -18.401 1.00 0.00 C ATOM 72 CD LYS A 8 -1.533 -0.053 -17.545 1.00 0.00 C ATOM 73 CE LYS A 8 -3.014 -0.257 -17.264 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.867 0.315 -18.344 1.00 0.00 N ATOM 0 H LYS A 8 -1.300 -5.183 -18.532 1.00 0.00 H new ATOM 0 HA LYS A 8 0.635 -3.109 -19.141 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.577 -2.773 -17.120 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.009 -2.124 -16.756 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.064 -0.831 -18.901 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.687 -1.432 -19.181 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.986 -0.003 -16.603 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.385 0.901 -18.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.221 -1.322 -17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.271 0.209 -16.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.869 0.156 -18.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.688 1.336 -18.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.640 -0.148 -19.247 1.00 0.00 H new ATOM 88 N GLN A 9 2.124 -4.059 -17.344 1.00 0.00 N ATOM 89 CA GLN A 9 3.046 -4.806 -16.496 1.00 0.00 C ATOM 90 C GLN A 9 2.892 -4.399 -15.034 1.00 0.00 C ATOM 91 O GLN A 9 2.308 -3.360 -14.728 1.00 0.00 O ATOM 92 CB GLN A 9 4.488 -4.579 -16.952 1.00 0.00 C ATOM 93 CG GLN A 9 4.742 -4.986 -18.394 1.00 0.00 C ATOM 94 CD GLN A 9 6.214 -5.206 -18.688 1.00 0.00 C ATOM 95 OE1 GLN A 9 7.069 -4.441 -18.239 1.00 0.00 O ATOM 96 NE2 GLN A 9 6.517 -6.252 -19.446 1.00 0.00 N ATOM 0 H GLN A 9 2.545 -3.268 -17.831 1.00 0.00 H new ATOM 0 HA GLN A 9 2.806 -5.866 -16.586 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.736 -3.524 -16.832 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.159 -5.140 -16.301 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.191 -5.901 -18.612 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.354 -4.215 -19.059 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.776 -6.859 -19.796 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.491 -6.449 -19.678 1.00 0.00 H new ATOM 105 N ALA A 10 3.419 -5.224 -14.137 1.00 0.00 N ATOM 106 CA ALA A 10 3.341 -4.949 -12.707 1.00 0.00 C ATOM 107 C ALA A 10 4.341 -5.799 -11.930 1.00 0.00 C ATOM 108 O ALA A 10 4.991 -6.681 -12.491 1.00 0.00 O ATOM 109 CB ALA A 10 1.928 -5.195 -12.199 1.00 0.00 C ATOM 0 H ALA A 10 3.905 -6.089 -14.374 1.00 0.00 H new ATOM 0 HA ALA A 10 3.595 -3.901 -12.548 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.884 -4.986 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.233 -4.541 -12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.653 -6.235 -12.377 1.00 0.00 H new ATOM 115 N LYS A 11 4.458 -5.527 -10.634 1.00 0.00 N ATOM 116 CA LYS A 11 5.379 -6.268 -9.778 1.00 0.00 C ATOM 117 C LYS A 11 4.755 -6.533 -8.411 1.00 0.00 C ATOM 118 O LYS A 11 4.010 -5.704 -7.887 1.00 0.00 O ATOM 119 CB LYS A 11 6.688 -5.493 -9.612 1.00 0.00 C ATOM 120 CG LYS A 11 6.523 -4.171 -8.880 1.00 0.00 C ATOM 121 CD LYS A 11 7.827 -3.722 -8.241 1.00 0.00 C ATOM 122 CE LYS A 11 7.899 -2.207 -8.127 1.00 0.00 C ATOM 123 NZ LYS A 11 6.698 -1.644 -7.451 1.00 0.00 N ATOM 0 H LYS A 11 3.928 -4.800 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 11 5.589 -7.226 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.401 -6.113 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.115 -5.303 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.177 -3.408 -9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.756 -4.272 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.920 -4.167 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.667 -4.084 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.794 -1.927 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.993 -1.772 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.936 -0.723 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.934 -1.521 -8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.384 -2.294 -6.703 1.00 0.00 H new ATOM 137 N ILE A 12 5.065 -7.691 -7.839 1.00 0.00 N ATOM 138 CA ILE A 12 4.538 -8.063 -6.532 1.00 0.00 C ATOM 139 C ILE A 12 5.636 -8.062 -5.475 1.00 0.00 C ATOM 140 O ILE A 12 6.764 -8.483 -5.737 1.00 0.00 O ATOM 141 CB ILE A 12 3.876 -9.453 -6.568 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.881 -9.539 -7.727 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.181 -9.743 -5.245 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.266 -10.911 -7.895 1.00 0.00 C ATOM 0 H ILE A 12 5.679 -8.388 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 12 3.787 -7.318 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 12 4.651 -10.204 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.086 -8.810 -7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.387 -9.261 -8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.718 -10.729 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.912 -9.719 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.415 -8.989 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.571 -10.898 -8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.052 -11.641 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.731 -11.184 -6.985 1.00 0.00 H new ATOM 156 N HIS A 13 5.300 -7.589 -4.279 1.00 0.00 N ATOM 157 CA HIS A 13 6.257 -7.537 -3.181 1.00 0.00 C ATOM 158 C HIS A 13 5.972 -8.632 -2.159 1.00 0.00 C ATOM 159 O HIS A 13 5.022 -8.538 -1.381 1.00 0.00 O ATOM 160 CB HIS A 13 6.213 -6.167 -2.503 1.00 0.00 C ATOM 161 CG HIS A 13 6.275 -5.019 -3.465 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.995 -3.869 -3.220 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.705 -4.852 -4.682 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.862 -3.043 -4.241 1.00 0.00 C ATOM 165 NE2 HIS A 13 6.085 -3.616 -5.142 1.00 0.00 N ATOM 0 H HIS A 13 4.372 -7.236 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 13 7.253 -7.699 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.297 -6.090 -1.917 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.046 -6.090 -1.804 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.545 -3.685 -2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.070 -5.559 -5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.312 -2.065 -4.325 1.00 0.00 H new ATOM 173 N TYR A 14 6.800 -9.671 -2.166 1.00 0.00 N ATOM 174 CA TYR A 14 6.635 -10.786 -1.241 1.00 0.00 C ATOM 175 C TYR A 14 7.127 -10.414 0.154 1.00 0.00 C ATOM 176 O TYR A 14 7.893 -11.154 0.772 1.00 0.00 O ATOM 177 CB TYR A 14 7.392 -12.014 -1.750 1.00 0.00 C ATOM 178 CG TYR A 14 6.999 -12.430 -3.148 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.663 -12.517 -3.520 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.964 -12.738 -4.101 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.299 -12.899 -4.796 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.610 -13.118 -5.381 1.00 0.00 C ATOM 183 CZ TYR A 14 6.276 -13.198 -5.723 1.00 0.00 C ATOM 184 OH TYR A 14 5.917 -13.576 -6.997 1.00 0.00 O ATOM 0 H TYR A 14 7.592 -9.764 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 14 5.572 -11.021 -1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.462 -11.805 -1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.216 -12.847 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.895 -12.282 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.009 -12.679 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.255 -12.963 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.373 -13.351 -6.109 1.00 0.00 H new ATOM 0 HH TYR A 14 6.723 -13.750 -7.526 1.00 0.00 H new ATOM 194 N ILE A 15 6.679 -9.262 0.645 1.00 0.00 N ATOM 195 CA ILE A 15 7.071 -8.792 1.968 1.00 0.00 C ATOM 196 C ILE A 15 6.182 -9.395 3.051 1.00 0.00 C ATOM 197 O ILE A 15 4.984 -9.594 2.847 1.00 0.00 O ATOM 198 CB ILE A 15 7.007 -7.257 2.061 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.339 -6.641 1.632 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.650 -6.826 3.477 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.374 -6.234 0.175 1.00 0.00 C ATOM 0 H ILE A 15 6.045 -8.638 0.146 1.00 0.00 H new ATOM 0 HA ILE A 15 8.100 -9.114 2.126 1.00 0.00 H new ATOM 0 HB ILE A 15 6.229 -6.900 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.542 -5.767 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.139 -7.357 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.609 -5.738 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.679 -7.239 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.407 -7.192 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.348 -5.805 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.203 -7.109 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.596 -5.494 -0.015 1.00 0.00 H new ATOM 213 N LYS A 16 6.776 -9.681 4.204 1.00 0.00 N ATOM 214 CA LYS A 16 6.039 -10.258 5.323 1.00 0.00 C ATOM 215 C LYS A 16 5.070 -11.332 4.840 1.00 0.00 C ATOM 216 O LYS A 16 3.999 -11.519 5.416 1.00 0.00 O ATOM 217 CB LYS A 16 5.274 -9.165 6.073 1.00 0.00 C ATOM 218 CG LYS A 16 6.175 -8.136 6.734 1.00 0.00 C ATOM 219 CD LYS A 16 6.737 -8.650 8.049 1.00 0.00 C ATOM 220 CE LYS A 16 7.938 -7.831 8.499 1.00 0.00 C ATOM 221 NZ LYS A 16 8.557 -8.388 9.733 1.00 0.00 N ATOM 0 H LYS A 16 7.767 -9.523 4.389 1.00 0.00 H new ATOM 0 HA LYS A 16 6.757 -10.720 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.607 -8.657 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.647 -9.629 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.994 -7.883 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.613 -7.219 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.963 -8.614 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.028 -9.695 7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.680 -7.805 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.628 -6.802 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.372 -7.803 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.857 -8.390 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.876 -9.361 9.553 1.00 0.00 H new ATOM 235 N ASN A 17 5.453 -12.035 3.779 1.00 0.00 N ATOM 236 CA ASN A 17 4.618 -13.091 3.219 1.00 0.00 C ATOM 237 C ASN A 17 3.318 -12.519 2.662 1.00 0.00 C ATOM 238 O ASN A 17 2.249 -13.108 2.821 1.00 0.00 O ATOM 239 CB ASN A 17 4.309 -14.144 4.285 1.00 0.00 C ATOM 240 CG ASN A 17 5.304 -15.288 4.273 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.502 -15.085 4.467 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.811 -16.499 4.044 1.00 0.00 N ATOM 0 H ASN A 17 6.337 -11.892 3.290 1.00 0.00 H new ATOM 0 HA ASN A 17 5.167 -13.560 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.312 -13.674 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.305 -14.537 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.433 -17.307 4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.810 -16.621 3.888 1.00 0.00 H new ATOM 249 N HIS A 18 3.418 -11.366 2.007 1.00 0.00 N ATOM 250 CA HIS A 18 2.250 -10.714 1.425 1.00 0.00 C ATOM 251 C HIS A 18 2.391 -10.600 -0.089 1.00 0.00 C ATOM 252 O HIS A 18 3.363 -11.082 -0.669 1.00 0.00 O ATOM 253 CB HIS A 18 2.057 -9.326 2.037 1.00 0.00 C ATOM 254 CG HIS A 18 1.287 -9.340 3.321 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.075 -9.138 3.384 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.696 -9.535 4.597 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.471 -9.206 4.643 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.585 -9.446 5.399 1.00 0.00 N ATOM 0 H HIS A 18 4.295 -10.865 1.866 1.00 0.00 H new ATOM 0 HA HIS A 18 1.375 -11.325 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.034 -8.877 2.214 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.539 -8.690 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.708 -9.725 4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.485 -9.086 4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.577 -9.549 6.414 1.00 0.00 H new ATOM 266 N GLU A 19 1.412 -9.960 -0.724 1.00 0.00 N ATOM 267 CA GLU A 19 1.428 -9.785 -2.171 1.00 0.00 C ATOM 268 C GLU A 19 1.172 -8.329 -2.546 1.00 0.00 C ATOM 269 O GLU A 19 0.583 -8.038 -3.588 1.00 0.00 O ATOM 270 CB GLU A 19 0.378 -10.685 -2.827 1.00 0.00 C ATOM 271 CG GLU A 19 0.636 -12.168 -2.627 1.00 0.00 C ATOM 272 CD GLU A 19 0.653 -12.565 -1.163 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.068 -11.927 -0.367 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.387 -13.514 -0.814 1.00 0.00 O ATOM 0 H GLU A 19 0.600 -9.555 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 19 2.416 -10.067 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.604 -10.438 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.345 -10.472 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.133 -12.740 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.591 -12.432 -3.082 1.00 0.00 H new ATOM 281 N PHE A 20 1.617 -7.416 -1.689 1.00 0.00 N ATOM 282 CA PHE A 20 1.436 -5.989 -1.928 1.00 0.00 C ATOM 283 C PHE A 20 1.761 -5.635 -3.376 1.00 0.00 C ATOM 284 O PHE A 20 2.901 -5.772 -3.819 1.00 0.00 O ATOM 285 CB PHE A 20 2.319 -5.175 -0.981 1.00 0.00 C ATOM 286 CG PHE A 20 1.978 -5.364 0.469 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.704 -5.085 0.937 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.930 -5.822 1.365 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.387 -5.258 2.271 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.620 -5.997 2.700 1.00 0.00 C ATOM 291 CZ PHE A 20 1.347 -5.716 3.154 1.00 0.00 C ATOM 0 H PHE A 20 2.106 -7.639 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 20 0.391 -5.744 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.361 -5.453 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.229 -4.118 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.050 -4.728 0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.927 -6.045 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.609 -5.036 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.373 -6.353 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.102 -5.854 4.197 1.00 0.00 H new ATOM 301 N ILE A 21 0.750 -5.177 -4.108 1.00 0.00 N ATOM 302 CA ILE A 21 0.928 -4.803 -5.506 1.00 0.00 C ATOM 303 C ILE A 21 0.696 -3.309 -5.708 1.00 0.00 C ATOM 304 O ILE A 21 -0.344 -2.774 -5.323 1.00 0.00 O ATOM 305 CB ILE A 21 -0.026 -5.588 -6.424 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.506 -7.003 -6.659 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.208 -4.858 -7.747 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.359 -7.828 -7.586 1.00 0.00 C ATOM 0 H ILE A 21 -0.200 -5.056 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 21 1.957 -5.048 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.998 -5.662 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.512 -6.940 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.588 -7.515 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.885 -5.425 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.627 -3.869 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.758 -4.756 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.079 -8.819 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.359 -7.922 -7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.421 -7.338 -8.558 1.00 0.00 H new ATOM 320 N ALA A 22 1.672 -2.641 -6.315 1.00 0.00 N ATOM 321 CA ALA A 22 1.573 -1.210 -6.572 1.00 0.00 C ATOM 322 C ALA A 22 0.237 -0.859 -7.218 1.00 0.00 C ATOM 323 O ALA A 22 -0.105 -1.374 -8.284 1.00 0.00 O ATOM 324 CB ALA A 22 2.724 -0.752 -7.456 1.00 0.00 C ATOM 0 H ALA A 22 2.540 -3.068 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 22 1.633 -0.690 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.638 0.319 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.671 -0.959 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.689 -1.287 -8.405 1.00 0.00 H new ATOM 330 N THR A 23 -0.518 0.020 -6.566 1.00 0.00 N ATOM 331 CA THR A 23 -1.818 0.438 -7.075 1.00 0.00 C ATOM 332 C THR A 23 -2.113 1.887 -6.706 1.00 0.00 C ATOM 333 O THR A 23 -1.856 2.317 -5.581 1.00 0.00 O ATOM 334 CB THR A 23 -2.948 -0.458 -6.533 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.086 -0.387 -7.398 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.346 -0.036 -5.127 1.00 0.00 C ATOM 0 H THR A 23 -0.251 0.456 -5.684 1.00 0.00 H new ATOM 0 HA THR A 23 -1.778 0.343 -8.160 1.00 0.00 H new ATOM 0 HB THR A 23 -2.583 -1.484 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.799 -0.960 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.145 -0.683 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.484 -0.119 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.694 0.997 -5.142 1.00 0.00 H new ATOM 344 N PHE A 24 -2.655 2.637 -7.659 1.00 0.00 N ATOM 345 CA PHE A 24 -2.984 4.040 -7.435 1.00 0.00 C ATOM 346 C PHE A 24 -4.373 4.179 -6.817 1.00 0.00 C ATOM 347 O PHE A 24 -5.372 3.765 -7.406 1.00 0.00 O ATOM 348 CB PHE A 24 -2.918 4.819 -8.749 1.00 0.00 C ATOM 349 CG PHE A 24 -3.277 6.270 -8.605 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.347 7.184 -8.136 1.00 0.00 C ATOM 351 CD2 PHE A 24 -4.544 6.720 -8.938 1.00 0.00 C ATOM 352 CE1 PHE A 24 -2.674 8.520 -8.003 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.876 8.056 -8.807 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.940 8.957 -8.338 1.00 0.00 C ATOM 0 H PHE A 24 -2.876 2.297 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.252 4.453 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.911 4.741 -9.158 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.591 4.356 -9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.355 6.848 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.280 6.020 -9.304 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.939 9.222 -7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.867 8.395 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.198 10.001 -8.234 1.00 0.00 H new ATOM 364 N PHE A 25 -4.428 4.765 -5.625 1.00 0.00 N ATOM 365 CA PHE A 25 -5.693 4.959 -4.926 1.00 0.00 C ATOM 366 C PHE A 25 -6.207 6.383 -5.117 1.00 0.00 C ATOM 367 O PHE A 25 -5.952 7.262 -4.296 1.00 0.00 O ATOM 368 CB PHE A 25 -5.527 4.659 -3.435 1.00 0.00 C ATOM 369 CG PHE A 25 -4.715 3.427 -3.158 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.309 2.175 -3.155 1.00 0.00 C ATOM 371 CD2 PHE A 25 -3.356 3.520 -2.900 1.00 0.00 C ATOM 372 CE1 PHE A 25 -4.563 1.040 -2.899 1.00 0.00 C ATOM 373 CE2 PHE A 25 -2.605 2.388 -2.644 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.209 1.146 -2.645 1.00 0.00 C ATOM 0 H PHE A 25 -3.611 5.114 -5.123 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.423 4.269 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.053 5.513 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.513 4.544 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.367 2.085 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.878 4.489 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.038 0.070 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.547 2.475 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.624 0.260 -2.448 1.00 0.00 H new ATOM 384 N GLY A 26 -6.935 6.601 -6.208 1.00 0.00 N ATOM 385 CA GLY A 26 -7.474 7.919 -6.487 1.00 0.00 C ATOM 386 C GLY A 26 -8.279 8.474 -5.330 1.00 0.00 C ATOM 387 O GLY A 26 -8.389 9.689 -5.169 1.00 0.00 O ATOM 0 H GLY A 26 -7.161 5.889 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.656 8.601 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.106 7.869 -7.374 1.00 0.00 H new ATOM 391 N GLN A 27 -8.846 7.582 -4.524 1.00 0.00 N ATOM 392 CA GLN A 27 -9.649 7.990 -3.377 1.00 0.00 C ATOM 393 C GLN A 27 -8.848 7.874 -2.084 1.00 0.00 C ATOM 394 O GLN A 27 -7.914 7.079 -1.973 1.00 0.00 O ATOM 395 CB GLN A 27 -10.916 7.140 -3.285 1.00 0.00 C ATOM 396 CG GLN A 27 -10.709 5.815 -2.566 1.00 0.00 C ATOM 397 CD GLN A 27 -12.013 5.101 -2.272 1.00 0.00 C ATOM 398 OE1 GLN A 27 -12.937 5.682 -1.702 1.00 0.00 O ATOM 399 NE2 GLN A 27 -12.094 3.834 -2.659 1.00 0.00 N ATOM 0 H GLN A 27 -8.764 6.572 -4.644 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.931 9.034 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.688 7.708 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.286 6.944 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.076 5.170 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.177 5.992 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.303 3.393 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.947 3.302 -2.487 1.00 0.00 H new ATOM 408 N PRO A 28 -9.220 8.685 -1.082 1.00 0.00 N ATOM 409 CA PRO A 28 -8.551 8.690 0.222 1.00 0.00 C ATOM 410 C PRO A 28 -8.821 7.419 1.018 1.00 0.00 C ATOM 411 O PRO A 28 -9.666 7.403 1.914 1.00 0.00 O ATOM 412 CB PRO A 28 -9.159 9.904 0.928 1.00 0.00 C ATOM 413 CG PRO A 28 -10.491 10.087 0.286 1.00 0.00 C ATOM 414 CD PRO A 28 -10.325 9.657 -1.145 1.00 0.00 C ATOM 0 HA PRO A 28 -7.466 8.737 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.256 9.731 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.534 10.789 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.251 9.488 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.813 11.127 0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.236 9.205 -1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.083 10.500 -1.793 1.00 0.00 H new ATOM 422 N THR A 29 -8.098 6.354 0.688 1.00 0.00 N ATOM 423 CA THR A 29 -8.262 5.077 1.373 1.00 0.00 C ATOM 424 C THR A 29 -7.645 5.118 2.767 1.00 0.00 C ATOM 425 O THR A 29 -6.862 6.014 3.084 1.00 0.00 O ATOM 426 CB THR A 29 -7.621 3.926 0.575 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.151 3.897 -0.755 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.873 2.590 1.256 1.00 0.00 C ATOM 0 H THR A 29 -7.393 6.350 -0.049 1.00 0.00 H new ATOM 0 HA THR A 29 -9.334 4.899 1.458 1.00 0.00 H new ATOM 0 HB THR A 29 -6.545 4.097 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.737 3.164 -1.256 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.411 1.792 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.442 2.605 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.946 2.414 1.325 1.00 0.00 H new ATOM 436 N PHE A 30 -8.003 4.143 3.596 1.00 0.00 N ATOM 437 CA PHE A 30 -7.486 4.068 4.956 1.00 0.00 C ATOM 438 C PHE A 30 -6.318 3.089 5.042 1.00 0.00 C ATOM 439 O PHE A 30 -6.257 2.112 4.294 1.00 0.00 O ATOM 440 CB PHE A 30 -8.593 3.644 5.924 1.00 0.00 C ATOM 441 CG PHE A 30 -8.282 3.949 7.361 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.088 5.254 7.781 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.182 2.927 8.293 1.00 0.00 C ATOM 444 CE1 PHE A 30 -7.800 5.536 9.103 1.00 0.00 C ATOM 445 CE2 PHE A 30 -7.896 3.203 9.617 1.00 0.00 C ATOM 446 CZ PHE A 30 -7.705 4.509 10.023 1.00 0.00 C ATOM 0 H PHE A 30 -8.650 3.394 3.349 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.128 5.059 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.519 4.147 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.767 2.573 5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.163 6.061 7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.329 1.904 7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.649 6.558 9.417 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.822 2.398 10.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.482 4.727 11.057 1.00 0.00 H new ATOM 456 N CYS A 31 -5.394 3.357 5.957 1.00 0.00 N ATOM 457 CA CYS A 31 -4.227 2.502 6.140 1.00 0.00 C ATOM 458 C CYS A 31 -4.413 1.579 7.342 1.00 0.00 C ATOM 459 O CYS A 31 -5.270 1.817 8.193 1.00 0.00 O ATOM 460 CB CYS A 31 -2.969 3.353 6.327 1.00 0.00 C ATOM 461 SG CYS A 31 -1.440 2.384 6.527 1.00 0.00 S ATOM 0 H CYS A 31 -5.430 4.160 6.584 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.113 1.889 5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.858 4.013 5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.100 3.989 7.202 1.00 0.00 H new ATOM 466 N SER A 32 -3.603 0.527 7.404 1.00 0.00 N ATOM 467 CA SER A 32 -3.681 -0.433 8.498 1.00 0.00 C ATOM 468 C SER A 32 -2.495 -0.274 9.444 1.00 0.00 C ATOM 469 O SER A 32 -2.639 -0.377 10.662 1.00 0.00 O ATOM 470 CB SER A 32 -3.722 -1.861 7.949 1.00 0.00 C ATOM 471 OG SER A 32 -3.570 -2.811 8.990 1.00 0.00 O ATOM 0 H SER A 32 -2.886 0.318 6.710 1.00 0.00 H new ATOM 0 HA SER A 32 -4.597 -0.239 9.055 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.668 -2.029 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.930 -1.994 7.212 1.00 0.00 H new ATOM 0 HG SER A 32 -3.601 -3.716 8.614 1.00 0.00 H new ATOM 477 N VAL A 33 -1.320 -0.023 8.875 1.00 0.00 N ATOM 478 CA VAL A 33 -0.107 0.150 9.666 1.00 0.00 C ATOM 479 C VAL A 33 -0.180 1.417 10.511 1.00 0.00 C ATOM 480 O VAL A 33 -0.296 1.356 11.734 1.00 0.00 O ATOM 481 CB VAL A 33 1.143 0.215 8.770 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.345 0.703 9.564 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.422 -1.144 8.146 1.00 0.00 C ATOM 0 H VAL A 33 -1.182 0.065 7.868 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.029 -0.717 10.321 1.00 0.00 H new ATOM 0 HB VAL A 33 0.956 0.927 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.219 0.742 8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.141 1.699 9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.538 0.018 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.309 -1.080 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.589 -1.879 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.568 -1.449 7.541 1.00 0.00 H new ATOM 493 N CYS A 34 -0.111 2.567 9.849 1.00 0.00 N ATOM 494 CA CYS A 34 -0.170 3.852 10.537 1.00 0.00 C ATOM 495 C CYS A 34 -1.616 4.270 10.788 1.00 0.00 C ATOM 496 O CYS A 34 -1.901 5.046 11.700 1.00 0.00 O ATOM 497 CB CYS A 34 0.549 4.926 9.719 1.00 0.00 C ATOM 498 SG CYS A 34 -0.309 5.384 8.178 1.00 0.00 S ATOM 0 H CYS A 34 -0.014 2.636 8.836 1.00 0.00 H new ATOM 0 HA CYS A 34 0.330 3.743 11.500 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.669 5.817 10.335 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.550 4.571 9.474 1.00 0.00 H new ATOM 503 N LYS A 35 -2.526 3.750 9.972 1.00 0.00 N ATOM 504 CA LYS A 35 -3.944 4.065 10.104 1.00 0.00 C ATOM 505 C LYS A 35 -4.191 5.555 9.886 1.00 0.00 C ATOM 506 O LYS A 35 -4.910 6.193 10.655 1.00 0.00 O ATOM 507 CB LYS A 35 -4.453 3.649 11.486 1.00 0.00 C ATOM 508 CG LYS A 35 -4.693 2.156 11.621 1.00 0.00 C ATOM 509 CD LYS A 35 -4.875 1.750 13.074 1.00 0.00 C ATOM 510 CE LYS A 35 -6.242 2.158 13.601 1.00 0.00 C ATOM 511 NZ LYS A 35 -6.385 1.868 15.055 1.00 0.00 N ATOM 0 H LYS A 35 -2.307 3.107 9.211 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.488 3.508 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.730 3.962 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.382 4.178 11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.578 1.876 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.852 1.611 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.755 0.671 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.097 2.212 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.396 3.223 13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.018 1.629 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.330 2.160 15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.264 0.848 15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.661 2.393 15.586 1.00 0.00 H new ATOM 525 N ASP A 36 -3.591 6.102 8.835 1.00 0.00 N ATOM 526 CA ASP A 36 -3.750 7.516 8.515 1.00 0.00 C ATOM 527 C ASP A 36 -4.216 7.699 7.074 1.00 0.00 C ATOM 528 O ASP A 36 -3.644 7.123 6.148 1.00 0.00 O ATOM 529 CB ASP A 36 -2.432 8.261 8.736 1.00 0.00 C ATOM 530 CG ASP A 36 -2.242 8.688 10.177 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.242 9.077 10.818 1.00 0.00 O ATOM 532 OD2 ASP A 36 -1.094 8.632 10.667 1.00 0.00 O ATOM 0 H ASP A 36 -2.990 5.588 8.190 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.509 7.930 9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.602 7.621 8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.403 9.141 8.093 1.00 0.00 H new ATOM 537 N PHE A 37 -5.258 8.502 6.892 1.00 0.00 N ATOM 538 CA PHE A 37 -5.803 8.759 5.564 1.00 0.00 C ATOM 539 C PHE A 37 -4.703 8.715 4.507 1.00 0.00 C ATOM 540 O PHE A 37 -3.770 9.517 4.532 1.00 0.00 O ATOM 541 CB PHE A 37 -6.504 10.118 5.532 1.00 0.00 C ATOM 542 CG PHE A 37 -7.097 10.519 6.851 1.00 0.00 C ATOM 543 CD1 PHE A 37 -8.246 9.905 7.324 1.00 0.00 C ATOM 544 CD2 PHE A 37 -6.508 11.510 7.620 1.00 0.00 C ATOM 545 CE1 PHE A 37 -8.796 10.271 8.538 1.00 0.00 C ATOM 546 CE2 PHE A 37 -7.052 11.879 8.835 1.00 0.00 C ATOM 547 CZ PHE A 37 -8.198 11.261 9.294 1.00 0.00 C ATOM 0 H PHE A 37 -5.743 8.987 7.648 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.530 7.978 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.789 10.879 5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.293 10.093 4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.717 9.131 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.613 12.000 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.691 9.784 8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.581 12.651 9.426 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.626 11.551 10.242 1.00 0.00 H new ATOM 557 N VAL A 38 -4.821 7.771 3.578 1.00 0.00 N ATOM 558 CA VAL A 38 -3.838 7.621 2.512 1.00 0.00 C ATOM 559 C VAL A 38 -4.164 8.533 1.333 1.00 0.00 C ATOM 560 O VAL A 38 -4.337 8.068 0.206 1.00 0.00 O ATOM 561 CB VAL A 38 -3.766 6.165 2.016 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.576 5.976 1.087 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.691 5.205 3.193 1.00 0.00 C ATOM 0 H VAL A 38 -5.588 7.099 3.542 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.871 7.902 2.930 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.674 5.945 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.541 4.941 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.677 6.638 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.656 6.213 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.641 4.180 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.801 5.422 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.578 5.323 3.816 1.00 0.00 H new ATOM 573 N TRP A 39 -4.245 9.831 1.600 1.00 0.00 N ATOM 574 CA TRP A 39 -4.549 10.808 0.561 1.00 0.00 C ATOM 575 C TRP A 39 -3.503 11.917 0.534 1.00 0.00 C ATOM 576 O TRP A 39 -3.128 12.403 -0.532 1.00 0.00 O ATOM 577 CB TRP A 39 -5.939 11.406 0.786 1.00 0.00 C ATOM 578 CG TRP A 39 -5.929 12.616 1.669 1.00 0.00 C ATOM 579 CD1 TRP A 39 -5.471 12.690 2.954 1.00 0.00 C ATOM 580 CD2 TRP A 39 -6.401 13.925 1.335 1.00 0.00 C ATOM 581 NE1 TRP A 39 -5.630 13.966 3.437 1.00 0.00 N ATOM 582 CE2 TRP A 39 -6.197 14.743 2.463 1.00 0.00 C ATOM 583 CE3 TRP A 39 -6.973 14.488 0.190 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -6.548 16.091 2.478 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -7.321 15.825 0.207 1.00 0.00 C ATOM 586 CH2 TRP A 39 -7.107 16.615 1.344 1.00 0.00 C ATOM 0 H TRP A 39 -4.104 10.232 2.527 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.533 10.296 -0.401 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.373 11.672 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.586 10.648 1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.046 11.866 3.509 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -5.368 14.283 4.370 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.140 13.888 -0.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.385 16.701 3.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -7.766 16.269 -0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.389 17.657 1.325 1.00 0.00 H new ATOM 597 N GLY A 40 -3.036 12.314 1.714 1.00 0.00 N ATOM 598 CA GLY A 40 -2.038 13.363 1.802 1.00 0.00 C ATOM 599 C GLY A 40 -0.679 12.914 1.303 1.00 0.00 C ATOM 600 O GLY A 40 -0.561 12.384 0.197 1.00 0.00 O ATOM 0 H GLY A 40 -3.331 11.927 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.368 14.224 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.951 13.691 2.838 1.00 0.00 H new ATOM 604 N LEU A 41 0.349 13.128 2.116 1.00 0.00 N ATOM 605 CA LEU A 41 1.708 12.742 1.750 1.00 0.00 C ATOM 606 C LEU A 41 1.767 11.274 1.344 1.00 0.00 C ATOM 607 O LEU A 41 1.277 10.401 2.060 1.00 0.00 O ATOM 608 CB LEU A 41 2.664 13.000 2.916 1.00 0.00 C ATOM 609 CG LEU A 41 4.153 12.826 2.614 1.00 0.00 C ATOM 610 CD1 LEU A 41 4.654 13.956 1.729 1.00 0.00 C ATOM 611 CD2 LEU A 41 4.954 12.762 3.906 1.00 0.00 C ATOM 0 H LEU A 41 0.268 13.567 3.033 1.00 0.00 H new ATOM 0 HA LEU A 41 2.014 13.348 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.503 14.017 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.398 12.329 3.733 1.00 0.00 H new ATOM 0 HG LEU A 41 4.289 11.886 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.715 13.815 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.101 13.955 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.506 14.909 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.011 12.638 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.812 13.685 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.613 11.917 4.504 1.00 0.00 H new ATOM 623 N ASN A 42 2.372 11.007 0.191 1.00 0.00 N ATOM 624 CA ASN A 42 2.496 9.643 -0.310 1.00 0.00 C ATOM 625 C ASN A 42 1.156 9.130 -0.829 1.00 0.00 C ATOM 626 O ASN A 42 0.764 7.995 -0.553 1.00 0.00 O ATOM 627 CB ASN A 42 3.017 8.719 0.793 1.00 0.00 C ATOM 628 CG ASN A 42 3.672 7.468 0.237 1.00 0.00 C ATOM 629 OD1 ASN A 42 3.794 7.305 -0.977 1.00 0.00 O ATOM 630 ND2 ASN A 42 4.096 6.579 1.127 1.00 0.00 N ATOM 0 H ASN A 42 2.784 11.717 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 42 3.207 9.648 -1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.737 9.260 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.191 8.435 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.544 5.718 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.973 6.757 2.124 1.00 0.00 H new ATOM 637 N LYS A 43 0.457 9.972 -1.581 1.00 0.00 N ATOM 638 CA LYS A 43 -0.838 9.604 -2.142 1.00 0.00 C ATOM 639 C LYS A 43 -0.883 8.118 -2.480 1.00 0.00 C ATOM 640 O LYS A 43 -1.685 7.369 -1.925 1.00 0.00 O ATOM 641 CB LYS A 43 -1.129 10.433 -3.394 1.00 0.00 C ATOM 642 CG LYS A 43 -2.438 10.069 -4.074 1.00 0.00 C ATOM 643 CD LYS A 43 -3.610 10.815 -3.460 1.00 0.00 C ATOM 644 CE LYS A 43 -4.790 10.882 -4.418 1.00 0.00 C ATOM 645 NZ LYS A 43 -4.571 11.883 -5.498 1.00 0.00 N ATOM 0 H LYS A 43 0.765 10.915 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.602 9.810 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.151 11.489 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.312 10.303 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.374 10.301 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.606 8.995 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.916 10.320 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.300 11.825 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.954 9.900 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.693 11.137 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.460 12.035 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.256 12.782 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.844 11.533 -6.154 1.00 0.00 H new ATOM 659 N GLN A 44 -0.014 7.698 -3.395 1.00 0.00 N ATOM 660 CA GLN A 44 0.046 6.300 -3.806 1.00 0.00 C ATOM 661 C GLN A 44 0.781 5.459 -2.769 1.00 0.00 C ATOM 662 O GLN A 44 1.653 5.954 -2.056 1.00 0.00 O ATOM 663 CB GLN A 44 0.738 6.176 -5.165 1.00 0.00 C ATOM 664 CG GLN A 44 0.736 4.761 -5.722 1.00 0.00 C ATOM 665 CD GLN A 44 0.996 4.722 -7.214 1.00 0.00 C ATOM 666 OE1 GLN A 44 0.076 4.860 -8.021 1.00 0.00 O ATOM 667 NE2 GLN A 44 2.255 4.532 -7.591 1.00 0.00 N ATOM 0 H GLN A 44 0.657 8.305 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.975 5.928 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.245 6.838 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.768 6.519 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.496 4.171 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.226 4.293 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.987 4.422 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.490 4.496 -8.583 1.00 0.00 H new ATOM 676 N GLY A 45 0.421 4.181 -2.689 1.00 0.00 N ATOM 677 CA GLY A 45 1.055 3.290 -1.735 1.00 0.00 C ATOM 678 C GLY A 45 1.089 1.853 -2.217 1.00 0.00 C ATOM 679 O GLY A 45 1.638 1.559 -3.278 1.00 0.00 O ATOM 0 H GLY A 45 -0.298 3.747 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.073 3.631 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.521 3.339 -0.786 1.00 0.00 H new ATOM 683 N TYR A 46 0.500 0.955 -1.434 1.00 0.00 N ATOM 684 CA TYR A 46 0.468 -0.459 -1.784 1.00 0.00 C ATOM 685 C TYR A 46 -0.821 -1.113 -1.294 1.00 0.00 C ATOM 686 O TYR A 46 -1.404 -0.692 -0.295 1.00 0.00 O ATOM 687 CB TYR A 46 1.677 -1.182 -1.189 1.00 0.00 C ATOM 688 CG TYR A 46 2.995 -0.754 -1.792 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.200 -0.794 -3.165 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.038 -0.307 -0.988 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.403 -0.405 -3.721 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.244 0.085 -1.535 1.00 0.00 C ATOM 693 CZ TYR A 46 5.422 0.035 -2.902 1.00 0.00 C ATOM 694 OH TYR A 46 6.622 0.425 -3.451 1.00 0.00 O ATOM 0 H TYR A 46 0.039 1.182 -0.553 1.00 0.00 H new ATOM 0 HA TYR A 46 0.505 -0.538 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.704 -1.003 -0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.554 -2.256 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.404 -1.136 -3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.903 -0.266 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.545 -0.445 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.044 0.429 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 46 6.583 0.328 -4.425 1.00 0.00 H new ATOM 704 N LYS A 47 -1.260 -2.146 -2.005 1.00 0.00 N ATOM 705 CA LYS A 47 -2.479 -2.861 -1.643 1.00 0.00 C ATOM 706 C LYS A 47 -2.360 -4.344 -1.982 1.00 0.00 C ATOM 707 O LYS A 47 -2.126 -4.711 -3.133 1.00 0.00 O ATOM 708 CB LYS A 47 -3.683 -2.256 -2.369 1.00 0.00 C ATOM 709 CG LYS A 47 -4.962 -3.059 -2.197 1.00 0.00 C ATOM 710 CD LYS A 47 -6.194 -2.183 -2.350 1.00 0.00 C ATOM 711 CE LYS A 47 -7.469 -3.012 -2.364 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.667 -2.194 -2.024 1.00 0.00 N ATOM 0 H LYS A 47 -0.790 -2.507 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.624 -2.762 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.847 -1.243 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.454 -2.176 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.991 -3.861 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.968 -3.529 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.235 -1.465 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.121 -1.609 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.602 -3.458 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.376 -3.833 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.515 -2.795 -2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.552 -1.789 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.771 -1.426 -2.717 1.00 0.00 H new ATOM 726 N CYS A 48 -2.524 -5.192 -0.972 1.00 0.00 N ATOM 727 CA CYS A 48 -2.437 -6.634 -1.162 1.00 0.00 C ATOM 728 C CYS A 48 -3.651 -7.157 -1.924 1.00 0.00 C ATOM 729 O CYS A 48 -4.788 -7.012 -1.476 1.00 0.00 O ATOM 730 CB CYS A 48 -2.326 -7.341 0.190 1.00 0.00 C ATOM 731 SG CYS A 48 -1.759 -9.070 0.081 1.00 0.00 S ATOM 0 H CYS A 48 -2.718 -4.904 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.543 -6.845 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.637 -6.783 0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.299 -7.319 0.680 1.00 0.00 H new ATOM 736 N ARG A 49 -3.400 -7.765 -3.079 1.00 0.00 N ATOM 737 CA ARG A 49 -4.472 -8.309 -3.905 1.00 0.00 C ATOM 738 C ARG A 49 -4.950 -9.652 -3.360 1.00 0.00 C ATOM 739 O ARG A 49 -5.689 -10.375 -4.027 1.00 0.00 O ATOM 740 CB ARG A 49 -3.998 -8.473 -5.350 1.00 0.00 C ATOM 741 CG ARG A 49 -2.680 -9.219 -5.478 1.00 0.00 C ATOM 742 CD ARG A 49 -2.592 -9.973 -6.796 1.00 0.00 C ATOM 743 NE ARG A 49 -3.558 -11.065 -6.868 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.768 -11.790 -7.961 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.082 -11.540 -9.069 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.664 -12.769 -7.948 1.00 0.00 N ATOM 0 H ARG A 49 -2.464 -7.893 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.307 -7.608 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.763 -9.004 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.893 -7.487 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.853 -8.513 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.575 -9.919 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.764 -9.282 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.585 -10.371 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.102 -11.283 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.391 -10.790 -9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.245 -12.098 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.192 -12.965 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.824 -13.325 -8.788 1.00 0.00 H new ATOM 760 N GLN A 50 -4.523 -9.977 -2.144 1.00 0.00 N ATOM 761 CA GLN A 50 -4.906 -11.233 -1.511 1.00 0.00 C ATOM 762 C GLN A 50 -5.822 -10.983 -0.316 1.00 0.00 C ATOM 763 O GLN A 50 -6.950 -11.476 -0.271 1.00 0.00 O ATOM 764 CB GLN A 50 -3.664 -12.004 -1.063 1.00 0.00 C ATOM 765 CG GLN A 50 -2.707 -12.329 -2.199 1.00 0.00 C ATOM 766 CD GLN A 50 -3.071 -13.613 -2.918 1.00 0.00 C ATOM 767 OE1 GLN A 50 -4.205 -13.787 -3.368 1.00 0.00 O ATOM 768 NE2 GLN A 50 -2.110 -14.522 -3.033 1.00 0.00 N ATOM 0 H GLN A 50 -3.912 -9.388 -1.578 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.449 -11.829 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.136 -11.419 -0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.976 -12.933 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.703 -11.505 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.695 -12.413 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.185 -14.338 -2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.297 -15.405 -3.509 1.00 0.00 H new ATOM 777 N CYS A 51 -5.330 -10.214 0.649 1.00 0.00 N ATOM 778 CA CYS A 51 -6.102 -9.899 1.845 1.00 0.00 C ATOM 779 C CYS A 51 -6.743 -8.519 1.729 1.00 0.00 C ATOM 780 O CYS A 51 -7.605 -8.156 2.530 1.00 0.00 O ATOM 781 CB CYS A 51 -5.208 -9.955 3.085 1.00 0.00 C ATOM 782 SG CYS A 51 -3.765 -8.845 3.012 1.00 0.00 S ATOM 0 H CYS A 51 -4.399 -9.797 0.626 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.893 -10.642 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.804 -9.701 3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.859 -10.978 3.222 1.00 0.00 H new ATOM 787 N ASN A 52 -6.317 -7.756 0.729 1.00 0.00 N ATOM 788 CA ASN A 52 -6.849 -6.417 0.508 1.00 0.00 C ATOM 789 C ASN A 52 -6.413 -5.468 1.620 1.00 0.00 C ATOM 790 O ASN A 52 -7.243 -4.828 2.266 1.00 0.00 O ATOM 791 CB ASN A 52 -8.376 -6.459 0.428 1.00 0.00 C ATOM 792 CG ASN A 52 -8.885 -7.710 -0.261 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.364 -8.639 0.390 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.783 -7.741 -1.584 1.00 0.00 N ATOM 0 H ASN A 52 -5.604 -8.042 0.058 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.452 -6.047 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.791 -6.407 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.733 -5.581 -0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.108 -8.557 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.379 -6.948 -2.083 1.00 0.00 H new ATOM 801 N ALA A 53 -5.105 -5.382 1.839 1.00 0.00 N ATOM 802 CA ALA A 53 -4.558 -4.511 2.871 1.00 0.00 C ATOM 803 C ALA A 53 -3.809 -3.334 2.256 1.00 0.00 C ATOM 804 O ALA A 53 -2.677 -3.480 1.795 1.00 0.00 O ATOM 805 CB ALA A 53 -3.641 -5.299 3.795 1.00 0.00 C ATOM 0 H ALA A 53 -4.404 -5.906 1.315 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.389 -4.114 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.239 -4.636 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.205 -6.102 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.821 -5.725 3.217 1.00 0.00 H new ATOM 811 N ALA A 54 -4.448 -2.169 2.251 1.00 0.00 N ATOM 812 CA ALA A 54 -3.840 -0.967 1.693 1.00 0.00 C ATOM 813 C ALA A 54 -2.948 -0.276 2.718 1.00 0.00 C ATOM 814 O ALA A 54 -3.396 0.069 3.812 1.00 0.00 O ATOM 815 CB ALA A 54 -4.918 -0.013 1.200 1.00 0.00 C ATOM 0 H ALA A 54 -5.386 -2.032 2.627 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.216 -1.262 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.451 0.881 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.512 -0.503 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.564 0.268 2.032 1.00 0.00 H new ATOM 821 N ILE A 55 -1.685 -0.078 2.358 1.00 0.00 N ATOM 822 CA ILE A 55 -0.730 0.572 3.247 1.00 0.00 C ATOM 823 C ILE A 55 0.135 1.572 2.488 1.00 0.00 C ATOM 824 O ILE A 55 0.043 1.687 1.265 1.00 0.00 O ATOM 825 CB ILE A 55 0.183 -0.456 3.941 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.179 -1.045 2.940 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.649 -1.558 4.580 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.303 -1.820 3.591 1.00 0.00 C ATOM 0 H ILE A 55 -1.299 -0.358 1.457 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.312 1.099 4.004 1.00 0.00 H new ATOM 0 HB ILE A 55 0.744 0.051 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.646 -1.702 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.603 -0.237 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.011 -2.277 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.321 -1.124 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.234 -2.064 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.970 -2.209 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.861 -1.162 4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.889 -2.649 4.164 1.00 0.00 H new ATOM 840 N HIS A 56 0.976 2.295 3.221 1.00 0.00 N ATOM 841 CA HIS A 56 1.861 3.285 2.617 1.00 0.00 C ATOM 842 C HIS A 56 3.165 2.640 2.159 1.00 0.00 C ATOM 843 O HIS A 56 3.648 1.687 2.773 1.00 0.00 O ATOM 844 CB HIS A 56 2.154 4.410 3.609 1.00 0.00 C ATOM 845 CG HIS A 56 0.968 5.277 3.900 1.00 0.00 C ATOM 846 ND1 HIS A 56 0.062 5.001 4.902 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.543 6.421 3.315 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.870 5.937 4.919 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.601 6.811 3.967 1.00 0.00 N ATOM 0 H HIS A 56 1.063 2.214 4.234 1.00 0.00 H new ATOM 0 HA HIS A 56 1.358 3.703 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.514 3.976 4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.959 5.030 3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.016 6.932 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.710 5.980 5.597 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.153 7.641 3.751 1.00 0.00 H new ATOM 857 N LYS A 57 3.732 3.166 1.079 1.00 0.00 N ATOM 858 CA LYS A 57 4.982 2.643 0.539 1.00 0.00 C ATOM 859 C LYS A 57 6.055 2.573 1.620 1.00 0.00 C ATOM 860 O LYS A 57 7.021 1.818 1.504 1.00 0.00 O ATOM 861 CB LYS A 57 5.466 3.518 -0.619 1.00 0.00 C ATOM 862 CG LYS A 57 6.558 2.873 -1.454 1.00 0.00 C ATOM 863 CD LYS A 57 7.489 3.912 -2.055 1.00 0.00 C ATOM 864 CE LYS A 57 8.360 3.315 -3.150 1.00 0.00 C ATOM 865 NZ LYS A 57 7.608 3.141 -4.424 1.00 0.00 N ATOM 0 H LYS A 57 3.346 3.955 0.560 1.00 0.00 H new ATOM 0 HA LYS A 57 4.796 1.634 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.619 3.754 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.836 4.462 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.132 2.184 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.107 2.283 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.902 4.735 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.122 4.330 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.221 3.961 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.746 2.350 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.271 3.164 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.112 2.227 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.915 3.910 -4.526 1.00 0.00 H new ATOM 879 N LYS A 58 5.880 3.363 2.674 1.00 0.00 N ATOM 880 CA LYS A 58 6.831 3.389 3.779 1.00 0.00 C ATOM 881 C LYS A 58 6.375 2.474 4.911 1.00 0.00 C ATOM 882 O LYS A 58 7.192 1.972 5.684 1.00 0.00 O ATOM 883 CB LYS A 58 6.999 4.818 4.300 1.00 0.00 C ATOM 884 CG LYS A 58 5.716 5.424 4.842 1.00 0.00 C ATOM 885 CD LYS A 58 5.972 6.758 5.521 1.00 0.00 C ATOM 886 CE LYS A 58 4.702 7.321 6.139 1.00 0.00 C ATOM 887 NZ LYS A 58 4.264 6.535 7.325 1.00 0.00 N ATOM 0 H LYS A 58 5.087 3.995 2.786 1.00 0.00 H new ATOM 0 HA LYS A 58 7.791 3.028 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.753 4.822 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.376 5.447 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.005 5.560 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.259 4.735 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.730 6.634 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.370 7.467 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.870 8.357 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.907 7.326 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.500 7.043 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.918 5.604 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.067 6.408 7.973 1.00 0.00 H new ATOM 901 N CYS A 59 5.067 2.259 5.002 1.00 0.00 N ATOM 902 CA CYS A 59 4.502 1.403 6.038 1.00 0.00 C ATOM 903 C CYS A 59 4.851 -0.061 5.785 1.00 0.00 C ATOM 904 O CYS A 59 4.821 -0.884 6.700 1.00 0.00 O ATOM 905 CB CYS A 59 2.983 1.574 6.098 1.00 0.00 C ATOM 906 SG CYS A 59 2.436 3.057 7.003 1.00 0.00 S ATOM 0 H CYS A 59 4.378 2.666 4.370 1.00 0.00 H new ATOM 0 HA CYS A 59 4.932 1.700 6.994 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.593 1.618 5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.547 0.693 6.569 1.00 0.00 H new ATOM 911 N ILE A 60 5.183 -0.377 4.538 1.00 0.00 N ATOM 912 CA ILE A 60 5.539 -1.740 4.165 1.00 0.00 C ATOM 913 C ILE A 60 6.681 -2.265 5.027 1.00 0.00 C ATOM 914 O ILE A 60 6.679 -3.425 5.439 1.00 0.00 O ATOM 915 CB ILE A 60 5.947 -1.830 2.682 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.613 -3.214 2.122 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.430 -1.532 2.522 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.850 -3.336 0.633 1.00 0.00 C ATOM 0 H ILE A 60 5.213 0.292 3.769 1.00 0.00 H new ATOM 0 HA ILE A 60 4.653 -2.353 4.327 1.00 0.00 H new ATOM 0 HB ILE A 60 5.384 -1.085 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.214 -3.961 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.569 -3.441 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.703 -1.599 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.641 -0.527 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.010 -2.256 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.592 -4.343 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.229 -2.612 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.900 -3.141 0.414 1.00 0.00 H new ATOM 930 N ASP A 61 7.655 -1.404 5.298 1.00 0.00 N ATOM 931 CA ASP A 61 8.804 -1.780 6.115 1.00 0.00 C ATOM 932 C ASP A 61 8.490 -1.622 7.600 1.00 0.00 C ATOM 933 O ASP A 61 9.361 -1.792 8.451 1.00 0.00 O ATOM 934 CB ASP A 61 10.019 -0.929 5.746 1.00 0.00 C ATOM 935 CG ASP A 61 10.671 -1.380 4.454 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.085 -1.140 3.378 1.00 0.00 O ATOM 937 OD2 ASP A 61 11.767 -1.976 4.518 1.00 0.00 O ATOM 0 H ASP A 61 7.673 -0.440 4.964 1.00 0.00 H new ATOM 0 HA ASP A 61 9.030 -2.828 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.714 0.113 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.750 -0.975 6.554 1.00 0.00 H new ATOM 942 N LYS A 62 7.238 -1.295 7.903 1.00 0.00 N ATOM 943 CA LYS A 62 6.806 -1.115 9.284 1.00 0.00 C ATOM 944 C LYS A 62 5.895 -2.257 9.723 1.00 0.00 C ATOM 945 O LYS A 62 5.826 -2.587 10.907 1.00 0.00 O ATOM 946 CB LYS A 62 6.079 0.222 9.442 1.00 0.00 C ATOM 947 CG LYS A 62 6.916 1.422 9.031 1.00 0.00 C ATOM 948 CD LYS A 62 8.011 1.711 10.044 1.00 0.00 C ATOM 949 CE LYS A 62 8.772 2.980 9.693 1.00 0.00 C ATOM 950 NZ LYS A 62 9.675 3.408 10.797 1.00 0.00 N ATOM 0 H LYS A 62 6.504 -1.149 7.210 1.00 0.00 H new ATOM 0 HA LYS A 62 7.692 -1.117 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.168 0.203 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.776 0.340 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.362 1.238 8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.274 2.297 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.573 1.811 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.703 0.870 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.357 2.814 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.064 3.779 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.176 4.276 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.114 3.591 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.367 2.656 10.991 1.00 0.00 H new ATOM 964 N ILE A 63 5.198 -2.854 8.762 1.00 0.00 N ATOM 965 CA ILE A 63 4.294 -3.960 9.051 1.00 0.00 C ATOM 966 C ILE A 63 4.913 -4.931 10.051 1.00 0.00 C ATOM 967 O ILE A 63 6.125 -5.139 10.059 1.00 0.00 O ATOM 968 CB ILE A 63 3.920 -4.730 7.770 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.031 -3.868 6.871 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.219 -6.034 8.122 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.878 -4.413 5.469 1.00 0.00 C ATOM 0 H ILE A 63 5.242 -2.591 7.778 1.00 0.00 H new ATOM 0 HA ILE A 63 3.392 -3.525 9.482 1.00 0.00 H new ATOM 0 HB ILE A 63 4.835 -4.966 7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.045 -3.779 7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.449 -2.863 6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.961 -6.567 7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.883 -6.652 8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.311 -5.818 8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.235 -3.751 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.857 -4.476 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.431 -5.406 5.512 1.00 0.00 H new ATOM 983 N ILE A 64 4.070 -5.522 10.891 1.00 0.00 N ATOM 984 CA ILE A 64 4.534 -6.472 11.894 1.00 0.00 C ATOM 985 C ILE A 64 3.645 -7.711 11.931 1.00 0.00 C ATOM 986 O ILE A 64 2.727 -7.804 12.745 1.00 0.00 O ATOM 987 CB ILE A 64 4.571 -5.839 13.296 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.586 -4.695 13.337 1.00 0.00 C ATOM 989 CG2 ILE A 64 4.908 -6.889 14.345 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.260 -3.634 14.365 1.00 0.00 C ATOM 0 H ILE A 64 3.063 -5.360 10.897 1.00 0.00 H new ATOM 0 HA ILE A 64 5.545 -6.761 11.609 1.00 0.00 H new ATOM 0 HB ILE A 64 3.584 -5.434 13.520 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.574 -5.104 13.550 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.638 -4.231 12.352 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.930 -6.424 15.331 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.152 -7.674 14.330 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.884 -7.322 14.126 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.022 -2.855 14.338 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.287 -3.198 14.141 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.237 -4.084 15.357 1.00 0.00 H new ATOM 1002 N GLY A 65 3.924 -8.661 11.044 1.00 0.00 N ATOM 1003 CA GLY A 65 3.142 -9.882 10.993 1.00 0.00 C ATOM 1004 C GLY A 65 3.273 -10.600 9.664 1.00 0.00 C ATOM 1005 O GLY A 65 4.327 -10.554 9.028 1.00 0.00 O ATOM 0 H GLY A 65 4.678 -8.607 10.359 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.461 -10.548 11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.093 -9.646 11.173 1.00 0.00 H new ATOM 1009 N ARG A 66 2.203 -11.266 9.245 1.00 0.00 N ATOM 1010 CA ARG A 66 2.205 -12.000 7.985 1.00 0.00 C ATOM 1011 C ARG A 66 0.866 -11.850 7.267 1.00 0.00 C ATOM 1012 O ARG A 66 -0.068 -11.245 7.793 1.00 0.00 O ATOM 1013 CB ARG A 66 2.500 -13.480 8.232 1.00 0.00 C ATOM 1014 CG ARG A 66 3.810 -13.726 8.963 1.00 0.00 C ATOM 1015 CD ARG A 66 3.931 -15.173 9.417 1.00 0.00 C ATOM 1016 NE ARG A 66 5.211 -15.435 10.070 1.00 0.00 N ATOM 1017 CZ ARG A 66 5.381 -16.360 11.008 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.358 -17.108 11.400 1.00 0.00 N ATOM 1019 NH2 ARG A 66 6.576 -16.540 11.556 1.00 0.00 N ATOM 0 H ARG A 66 1.323 -11.313 9.759 1.00 0.00 H new ATOM 0 HA ARG A 66 2.987 -11.582 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.684 -13.913 8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.524 -14.002 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.645 -13.478 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.875 -13.065 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.118 -15.407 10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.821 -15.834 8.557 1.00 0.00 H new ATOM 0 HE ARG A 66 6.018 -14.877 9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.438 -16.974 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.492 -17.818 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.366 -15.968 11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.705 -17.251 12.276 1.00 0.00 H new ATOM 1033 N CYS A 67 0.781 -12.405 6.063 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.441 -12.334 5.272 1.00 0.00 C ATOM 1035 C CYS A 67 -1.412 -13.443 5.668 1.00 0.00 C ATOM 1036 O CYS A 67 -1.001 -14.560 5.981 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.115 -12.436 3.780 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.517 -12.049 2.684 1.00 0.00 S ATOM 0 H CYS A 67 1.545 -12.910 5.613 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.915 -11.373 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.708 -11.759 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.234 -13.446 3.563 1.00 0.00 H new ATOM 1043 N THR A 68 -2.702 -13.126 5.652 1.00 0.00 N ATOM 1044 CA THR A 68 -3.732 -14.092 6.011 1.00 0.00 C ATOM 1045 C THR A 68 -4.282 -14.794 4.773 1.00 0.00 C ATOM 1046 O THR A 68 -4.667 -15.960 4.830 1.00 0.00 O ATOM 1047 CB THR A 68 -4.895 -13.422 6.766 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.878 -14.401 7.119 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.537 -12.335 5.916 1.00 0.00 C ATOM 0 H THR A 68 -3.059 -12.206 5.394 1.00 0.00 H new ATOM 0 HA THR A 68 -3.261 -14.827 6.664 1.00 0.00 H new ATOM 0 HB THR A 68 -4.496 -12.965 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.613 -13.967 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.356 -11.876 6.470 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.793 -11.576 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.923 -12.773 4.995 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.314 -14.074 3.656 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.818 -14.645 2.420 1.00 0.00 C ATOM 1059 C GLY A 69 -3.718 -15.255 1.573 1.00 0.00 C ATOM 1060 O GLY A 69 -3.325 -14.691 0.552 1.00 0.00 O ATOM 0 H GLY A 69 -4.000 -13.106 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.560 -15.409 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.327 -13.870 1.846 1.00 0.00 H new ATOM 1064 N THR A 70 -3.220 -16.413 1.997 1.00 0.00 N ATOM 1065 CA THR A 70 -2.158 -17.099 1.272 1.00 0.00 C ATOM 1066 C THR A 70 -2.068 -18.564 1.685 1.00 0.00 C ATOM 1067 O THR A 70 -2.064 -18.885 2.873 1.00 0.00 O ATOM 1068 CB THR A 70 -0.792 -16.427 1.508 1.00 0.00 C ATOM 1069 OG1 THR A 70 0.213 -17.070 0.715 1.00 0.00 O ATOM 1070 CG2 THR A 70 -0.404 -16.491 2.977 1.00 0.00 C ATOM 0 H THR A 70 -3.535 -16.895 2.839 1.00 0.00 H new ATOM 0 HA THR A 70 -2.407 -17.037 0.213 1.00 0.00 H new ATOM 0 HB THR A 70 -0.871 -15.380 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.078 -16.636 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.564 -16.010 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.156 -15.976 3.575 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.341 -17.533 3.292 1.00 0.00 H new ATOM 1078 N ALA A 71 -1.998 -19.449 0.696 1.00 0.00 N ATOM 1079 CA ALA A 71 -1.906 -20.880 0.956 1.00 0.00 C ATOM 1080 C ALA A 71 -0.545 -21.246 1.538 1.00 0.00 C ATOM 1081 O ALA A 71 0.423 -21.443 0.803 1.00 0.00 O ATOM 1082 CB ALA A 71 -2.164 -21.667 -0.320 1.00 0.00 C ATOM 0 H ALA A 71 -2.003 -19.200 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.669 -21.139 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.092 -22.734 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.162 -21.437 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.423 -21.394 -1.072 1.00 0.00 H new ATOM 1088 N ALA A 72 -0.477 -21.333 2.862 1.00 0.00 N ATOM 1089 CA ALA A 72 0.767 -21.676 3.543 1.00 0.00 C ATOM 1090 C ALA A 72 0.527 -22.714 4.633 1.00 0.00 C ATOM 1091 O ALA A 72 -0.612 -23.094 4.902 1.00 0.00 O ATOM 1092 CB ALA A 72 1.408 -20.428 4.131 1.00 0.00 C ATOM 0 H ALA A 72 -1.268 -21.171 3.485 1.00 0.00 H new ATOM 0 HA ALA A 72 1.447 -22.109 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.335 -20.699 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.624 -19.719 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.725 -19.971 4.847 1.00 0.00 H new ATOM 1098 N ASN A 73 1.608 -23.171 5.257 1.00 0.00 N ATOM 1099 CA ASN A 73 1.515 -24.167 6.318 1.00 0.00 C ATOM 1100 C ASN A 73 0.506 -25.253 5.957 1.00 0.00 C ATOM 1101 O ASN A 73 -0.265 -25.704 6.805 1.00 0.00 O ATOM 1102 CB ASN A 73 1.116 -23.502 7.637 1.00 0.00 C ATOM 1103 CG ASN A 73 -0.215 -22.780 7.542 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -1.253 -23.400 7.314 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -0.187 -21.465 7.716 1.00 0.00 N ATOM 0 H ASN A 73 2.559 -22.867 5.046 1.00 0.00 H new ATOM 0 HA ASN A 73 2.495 -24.630 6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.061 -24.258 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.890 -22.794 7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.051 -20.925 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.698 -20.994 7.903 1.00 0.00 H new ATOM 1112 N SER A 74 0.517 -25.668 4.695 1.00 0.00 N ATOM 1113 CA SER A 74 -0.399 -26.699 4.221 1.00 0.00 C ATOM 1114 C SER A 74 -0.117 -28.033 4.906 1.00 0.00 C ATOM 1115 O SER A 74 0.834 -28.158 5.676 1.00 0.00 O ATOM 1116 CB SER A 74 -0.282 -26.856 2.704 1.00 0.00 C ATOM 1117 OG SER A 74 -1.384 -27.577 2.179 1.00 0.00 O ATOM 0 H SER A 74 1.150 -25.306 3.982 1.00 0.00 H new ATOM 0 HA SER A 74 -1.415 -26.391 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.231 -25.873 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.645 -27.374 2.459 1.00 0.00 H new ATOM 0 HG SER A 74 -1.286 -27.662 1.208 1.00 0.00 H new ATOM 1123 N ARG A 75 -0.952 -29.027 4.616 1.00 0.00 N ATOM 1124 CA ARG A 75 -0.793 -30.351 5.204 1.00 0.00 C ATOM 1125 C ARG A 75 0.614 -30.889 4.963 1.00 0.00 C ATOM 1126 O ARG A 75 1.240 -31.447 5.865 1.00 0.00 O ATOM 1127 CB ARG A 75 -1.827 -31.318 4.621 1.00 0.00 C ATOM 1128 CG ARG A 75 -1.708 -31.501 3.117 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.021 -31.965 2.507 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.163 -33.418 2.553 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.319 -34.049 2.376 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -5.426 -33.358 2.142 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.368 -35.373 2.433 1.00 0.00 N ATOM 0 H ARG A 75 -1.744 -28.940 3.979 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.950 -30.265 6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.719 -32.288 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.827 -30.953 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.405 -30.560 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.927 -32.229 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.852 -31.503 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.079 -31.628 1.472 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.330 -33.979 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.392 -32.340 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.312 -33.845 2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.518 -35.908 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.256 -35.857 2.297 1.00 0.00 H new ATOM 1147 N ASP A 76 1.107 -30.717 3.742 1.00 0.00 N ATOM 1148 CA ASP A 76 2.440 -31.185 3.381 1.00 0.00 C ATOM 1149 C ASP A 76 3.514 -30.340 4.062 1.00 0.00 C ATOM 1150 O ASP A 76 3.216 -29.318 4.680 1.00 0.00 O ATOM 1151 CB ASP A 76 2.627 -31.142 1.864 1.00 0.00 C ATOM 1152 CG ASP A 76 2.049 -32.362 1.175 1.00 0.00 C ATOM 1153 OD1 ASP A 76 2.603 -33.466 1.360 1.00 0.00 O ATOM 1154 OD2 ASP A 76 1.043 -32.215 0.450 1.00 0.00 O ATOM 0 H ASP A 76 0.603 -30.256 2.984 1.00 0.00 H new ATOM 0 HA ASP A 76 2.541 -32.215 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.151 -30.245 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.690 -31.068 1.634 1.00 0.00 H new ATOM 1159 N THR A 77 4.764 -30.777 3.947 1.00 0.00 N ATOM 1160 CA THR A 77 5.881 -30.063 4.552 1.00 0.00 C ATOM 1161 C THR A 77 6.847 -29.551 3.490 1.00 0.00 C ATOM 1162 O THR A 77 6.952 -30.122 2.405 1.00 0.00 O ATOM 1163 CB THR A 77 6.651 -30.961 5.540 1.00 0.00 C ATOM 1164 OG1 THR A 77 5.761 -31.461 6.544 1.00 0.00 O ATOM 1165 CG2 THR A 77 7.786 -30.190 6.199 1.00 0.00 C ATOM 0 H THR A 77 5.028 -31.622 3.440 1.00 0.00 H new ATOM 0 HA THR A 77 5.459 -29.216 5.093 1.00 0.00 H new ATOM 0 HB THR A 77 7.075 -31.797 4.983 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.258 -32.032 7.167 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.315 -30.844 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.477 -29.836 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.379 -29.338 6.743 1.00 0.00 H new ATOM 1173 N SER A 78 7.552 -28.470 3.809 1.00 0.00 N ATOM 1174 CA SER A 78 8.507 -27.879 2.880 1.00 0.00 C ATOM 1175 C SER A 78 9.938 -28.075 3.374 1.00 0.00 C ATOM 1176 O SER A 78 10.174 -28.257 4.568 1.00 0.00 O ATOM 1177 CB SER A 78 8.218 -26.387 2.700 1.00 0.00 C ATOM 1178 OG SER A 78 6.941 -26.181 2.120 1.00 0.00 O ATOM 0 H SER A 78 7.479 -27.986 4.704 1.00 0.00 H new ATOM 0 HA SER A 78 8.401 -28.382 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.267 -25.885 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.985 -25.939 2.068 1.00 0.00 H new ATOM 0 HG SER A 78 6.780 -25.220 2.017 1.00 0.00 H new ATOM 1184 N GLY A 79 10.888 -28.035 2.446 1.00 0.00 N ATOM 1185 CA GLY A 79 12.284 -28.211 2.805 1.00 0.00 C ATOM 1186 C GLY A 79 13.221 -27.909 1.652 1.00 0.00 C ATOM 1187 O GLY A 79 13.567 -28.786 0.860 1.00 0.00 O ATOM 0 H GLY A 79 10.717 -27.884 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.525 -27.560 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.444 -29.236 3.140 1.00 0.00 H new ATOM 1191 N PRO A 80 13.645 -26.641 1.545 1.00 0.00 N ATOM 1192 CA PRO A 80 14.554 -26.197 0.483 1.00 0.00 C ATOM 1193 C PRO A 80 15.961 -26.759 0.651 1.00 0.00 C ATOM 1194 O PRO A 80 16.250 -27.456 1.624 1.00 0.00 O ATOM 1195 CB PRO A 80 14.563 -24.675 0.638 1.00 0.00 C ATOM 1196 CG PRO A 80 14.215 -24.437 2.067 1.00 0.00 C ATOM 1197 CD PRO A 80 13.274 -25.545 2.454 1.00 0.00 C ATOM 0 HA PRO A 80 14.229 -26.537 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.540 -24.258 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.840 -24.205 -0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 80 15.107 -24.446 2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.745 -23.462 2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.397 -25.830 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.232 -25.251 2.325 1.00 0.00 H new ATOM 1205 N SER A 81 16.835 -26.449 -0.301 1.00 0.00 N ATOM 1206 CA SER A 81 18.212 -26.925 -0.260 1.00 0.00 C ATOM 1207 C SER A 81 19.015 -26.177 0.800 1.00 0.00 C ATOM 1208 O SER A 81 18.687 -25.045 1.159 1.00 0.00 O ATOM 1209 CB SER A 81 18.874 -26.757 -1.629 1.00 0.00 C ATOM 1210 OG SER A 81 19.975 -27.637 -1.775 1.00 0.00 O ATOM 0 H SER A 81 16.613 -25.870 -1.111 1.00 0.00 H new ATOM 0 HA SER A 81 18.196 -27.983 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.144 -26.949 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.209 -25.727 -1.750 1.00 0.00 H new ATOM 0 HG SER A 81 20.379 -27.511 -2.659 1.00 0.00 H new ATOM 1216 N SER A 82 20.067 -26.817 1.299 1.00 0.00 N ATOM 1217 CA SER A 82 20.915 -26.215 2.321 1.00 0.00 C ATOM 1218 C SER A 82 22.277 -25.839 1.744 1.00 0.00 C ATOM 1219 O SER A 82 22.612 -26.208 0.619 1.00 0.00 O ATOM 1220 CB SER A 82 21.095 -27.176 3.496 1.00 0.00 C ATOM 1221 OG SER A 82 21.622 -26.506 4.628 1.00 0.00 O ATOM 0 H SER A 82 20.353 -27.753 1.012 1.00 0.00 H new ATOM 0 HA SER A 82 20.426 -25.308 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.136 -27.627 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.763 -27.988 3.207 1.00 0.00 H new ATOM 0 HG SER A 82 21.726 -27.143 5.366 1.00 0.00 H new ATOM 1227 N GLY A 83 23.059 -25.099 2.525 1.00 0.00 N ATOM 1228 CA GLY A 83 24.376 -24.684 2.075 1.00 0.00 C ATOM 1229 C GLY A 83 25.275 -24.268 3.223 1.00 0.00 C ATOM 1230 O GLY A 83 24.765 -23.905 4.282 1.00 0.00 O ATOM 0 H GLY A 83 22.805 -24.780 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 83 24.845 -25.502 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 83 24.273 -23.852 1.378 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.799 -9.733 2.362 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.371 3.862 6.550 1.00 0.00 ZN