USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 135:sc= 0.116 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -13.5! C(o=-12!,f=-12!) USER MOD Set 1.3: A 37 THR OG1 : rot 85:sc= 0.59 USER MOD Set 1.4: A 86 CYS SG : rot 24:sc= 0.528 USER MOD Set 1.5: A 88 SER OG : rot 150:sc= 0 USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 176:sc= -6.57! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 43:sc= 0.156 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.071) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= -0.736 (180deg=-0.881) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.446 (180deg=-0.694) USER MOD Single : A 78 CYS SG : rot -72:sc= -0.524 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.261 -2.092 -6.145 1.00 0.00 N ATOM 29 CA ALA A 18 4.515 -2.226 -6.866 1.00 0.00 C ATOM 30 C ALA A 18 5.250 -3.475 -6.374 1.00 0.00 C ATOM 31 O ALA A 18 5.979 -4.110 -7.135 1.00 0.00 O ATOM 32 CB ALA A 18 5.345 -0.953 -6.688 1.00 0.00 C ATOM 0 HA ALA A 18 4.333 -2.350 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.286 -1.054 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.791 -0.100 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.550 -0.798 -5.629 1.00 0.00 H new ATOM 38 N VAL A 19 5.033 -3.789 -5.106 1.00 0.00 N ATOM 39 CA VAL A 19 5.665 -4.950 -4.504 1.00 0.00 C ATOM 40 C VAL A 19 4.933 -6.216 -4.954 1.00 0.00 C ATOM 41 O VAL A 19 5.563 -7.196 -5.348 1.00 0.00 O ATOM 42 CB VAL A 19 5.707 -4.794 -2.982 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.296 -4.790 -2.393 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.567 -5.886 -2.342 1.00 0.00 C ATOM 0 H VAL A 19 4.428 -3.259 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 19 6.699 -5.036 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 19 6.167 -3.832 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.354 -4.678 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.728 -3.960 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.798 -5.729 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.580 -5.752 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.150 -6.864 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.584 -5.821 -2.728 1.00 0.00 H new ATOM 54 N TYR A 20 3.611 -6.153 -4.882 1.00 0.00 N ATOM 55 CA TYR A 20 2.786 -7.282 -5.277 1.00 0.00 C ATOM 56 C TYR A 20 2.923 -7.563 -6.775 1.00 0.00 C ATOM 57 O TYR A 20 2.845 -8.714 -7.204 1.00 0.00 O ATOM 58 CB TYR A 20 1.342 -6.874 -4.977 1.00 0.00 C ATOM 59 CG TYR A 20 0.877 -7.226 -3.563 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.804 -7.551 -2.593 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.469 -7.219 -3.257 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.366 -7.882 -1.262 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.906 -7.550 -1.926 1.00 0.00 C ATOM 64 CZ TYR A 20 0.033 -7.866 -0.994 1.00 0.00 C ATOM 65 OH TYR A 20 -0.381 -8.178 0.264 1.00 0.00 O ATOM 0 H TYR A 20 3.091 -5.338 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 20 3.086 -8.183 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.241 -5.799 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.682 -7.358 -5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.857 -7.557 -2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.194 -6.965 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.080 -8.137 -0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.956 -7.547 -1.673 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.358 -8.124 0.309 1.00 0.00 H new ATOM 75 N ILE A 21 3.126 -6.493 -7.530 1.00 0.00 N ATOM 76 CA ILE A 21 3.275 -6.611 -8.970 1.00 0.00 C ATOM 77 C ILE A 21 4.684 -7.112 -9.294 1.00 0.00 C ATOM 78 O ILE A 21 4.856 -7.988 -10.140 1.00 0.00 O ATOM 79 CB ILE A 21 2.920 -5.289 -9.655 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.303 -5.535 -11.034 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.136 -4.365 -9.727 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.071 -6.435 -10.931 1.00 0.00 C ATOM 0 H ILE A 21 3.191 -5.540 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 21 2.576 -7.347 -9.366 1.00 0.00 H new ATOM 0 HB ILE A 21 2.167 -4.782 -9.051 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.026 -4.583 -11.487 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.041 -5.997 -11.689 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.856 -3.433 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.491 -4.152 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.929 -4.851 -10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.652 -6.594 -11.925 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.356 -7.395 -10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.325 -5.959 -10.295 1.00 0.00 H new ATOM 94 N ALA A 22 5.656 -6.534 -8.603 1.00 0.00 N ATOM 95 CA ALA A 22 7.044 -6.911 -8.806 1.00 0.00 C ATOM 96 C ALA A 22 7.249 -8.356 -8.346 1.00 0.00 C ATOM 97 O ALA A 22 8.037 -9.093 -8.935 1.00 0.00 O ATOM 98 CB ALA A 22 7.954 -5.929 -8.066 1.00 0.00 C ATOM 0 H ALA A 22 5.509 -5.808 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 22 7.303 -6.862 -9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.995 -6.212 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.792 -4.922 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.724 -5.952 -7.001 1.00 0.00 H new ATOM 104 N ILE A 23 6.524 -8.717 -7.297 1.00 0.00 N ATOM 105 CA ILE A 23 6.616 -10.060 -6.750 1.00 0.00 C ATOM 106 C ILE A 23 5.718 -10.998 -7.560 1.00 0.00 C ATOM 107 O ILE A 23 5.971 -12.200 -7.628 1.00 0.00 O ATOM 108 CB ILE A 23 6.305 -10.052 -5.252 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.815 -9.812 -5.003 1.00 0.00 C ATOM 110 CG2 ILE A 23 7.180 -9.035 -4.516 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.069 -11.136 -4.824 1.00 0.00 C ATOM 0 H ILE A 23 5.870 -8.103 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 23 7.635 -10.438 -6.838 1.00 0.00 H new ATOM 0 HB ILE A 23 6.545 -11.036 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.686 -9.195 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.387 -9.260 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.939 -9.049 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.230 -9.292 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.995 -8.038 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.012 -10.937 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.180 -11.741 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.483 -11.675 -3.972 1.00 0.00 H new ATOM 123 N GLU A 24 4.688 -10.413 -8.152 1.00 0.00 N ATOM 124 CA GLU A 24 3.751 -11.181 -8.954 1.00 0.00 C ATOM 125 C GLU A 24 4.075 -11.028 -10.442 1.00 0.00 C ATOM 126 O GLU A 24 3.344 -11.529 -11.295 1.00 0.00 O ATOM 127 CB GLU A 24 2.308 -10.764 -8.662 1.00 0.00 C ATOM 128 CG GLU A 24 1.315 -11.707 -9.345 1.00 0.00 C ATOM 129 CD GLU A 24 -0.087 -11.549 -8.753 1.00 0.00 C ATOM 130 OE1 GLU A 24 -0.796 -10.589 -9.087 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.433 -12.470 -7.919 1.00 0.00 O ATOM 0 H GLU A 24 4.481 -9.416 -8.093 1.00 0.00 H new ATOM 0 HA GLU A 24 3.852 -12.233 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.136 -10.767 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.143 -9.744 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.288 -11.499 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.649 -12.738 -9.229 1.00 0.00 H new ATOM 139 N ALA A 25 5.171 -10.332 -10.707 1.00 0.00 N ATOM 140 CA ALA A 25 5.600 -10.107 -12.077 1.00 0.00 C ATOM 141 C ALA A 25 6.278 -11.371 -12.609 1.00 0.00 C ATOM 142 O ALA A 25 6.744 -11.397 -13.747 1.00 0.00 O ATOM 143 CB ALA A 25 6.522 -8.886 -12.128 1.00 0.00 C ATOM 0 H ALA A 25 5.774 -9.917 -9.997 1.00 0.00 H new ATOM 0 HA ALA A 25 4.744 -9.898 -12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.844 -8.716 -13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.985 -8.009 -11.767 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.394 -9.062 -11.498 1.00 0.00 H new ATOM 149 N GLY A 26 6.310 -12.388 -11.761 1.00 0.00 N ATOM 150 CA GLY A 26 6.923 -13.653 -12.132 1.00 0.00 C ATOM 151 C GLY A 26 7.746 -14.223 -10.976 1.00 0.00 C ATOM 152 O GLY A 26 8.196 -15.366 -11.034 1.00 0.00 O ATOM 0 H GLY A 26 5.922 -12.362 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.150 -14.366 -12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.563 -13.510 -13.003 1.00 0.00 H new ATOM 156 N THR A 27 7.919 -13.400 -9.952 1.00 0.00 N ATOM 157 CA THR A 27 8.681 -13.808 -8.784 1.00 0.00 C ATOM 158 C THR A 27 8.078 -15.072 -8.169 1.00 0.00 C ATOM 159 O THR A 27 8.793 -16.032 -7.886 1.00 0.00 O ATOM 160 CB THR A 27 8.731 -12.625 -7.815 1.00 0.00 C ATOM 161 OG1 THR A 27 10.111 -12.271 -7.771 1.00 0.00 O ATOM 162 CG2 THR A 27 8.404 -13.032 -6.377 1.00 0.00 C ATOM 0 H THR A 27 7.544 -12.452 -9.907 1.00 0.00 H new ATOM 0 HA THR A 27 9.704 -14.071 -9.052 1.00 0.00 H new ATOM 0 HB THR A 27 8.030 -11.857 -8.143 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.227 -11.474 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.454 -12.156 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.400 -13.455 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.125 -13.775 -6.036 1.00 0.00 H new ATOM 170 N LEU A 28 6.767 -15.033 -7.980 1.00 0.00 N ATOM 171 CA LEU A 28 6.059 -16.163 -7.404 1.00 0.00 C ATOM 172 C LEU A 28 4.777 -16.416 -8.199 1.00 0.00 C ATOM 173 O LEU A 28 4.415 -15.624 -9.068 1.00 0.00 O ATOM 174 CB LEU A 28 5.822 -15.941 -5.909 1.00 0.00 C ATOM 175 CG LEU A 28 5.286 -14.563 -5.512 1.00 0.00 C ATOM 176 CD1 LEU A 28 3.794 -14.631 -5.180 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.103 -13.967 -4.365 1.00 0.00 C ATOM 0 H LEU A 28 6.176 -14.236 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 28 6.663 -17.068 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.121 -16.697 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.762 -16.108 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 28 5.395 -13.894 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.438 -13.639 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.243 -14.983 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.637 -15.320 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.701 -12.988 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.048 -14.626 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.143 -13.861 -4.675 1.00 0.00 H new ATOM 189 N ALA A 29 4.125 -17.522 -7.874 1.00 0.00 N ATOM 190 CA ALA A 29 2.891 -17.889 -8.547 1.00 0.00 C ATOM 191 C ALA A 29 1.818 -18.201 -7.502 1.00 0.00 C ATOM 192 O ALA A 29 2.135 -18.580 -6.376 1.00 0.00 O ATOM 193 CB ALA A 29 3.152 -19.070 -9.484 1.00 0.00 C ATOM 0 H ALA A 29 4.428 -18.177 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 29 2.527 -17.062 -9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.226 -19.345 -9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.900 -18.788 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.517 -19.919 -8.906 1.00 0.00 H new ATOM 199 N GLU A 30 0.570 -18.029 -7.912 1.00 0.00 N ATOM 200 CA GLU A 30 -0.552 -18.287 -7.025 1.00 0.00 C ATOM 201 C GLU A 30 -1.733 -18.857 -7.815 1.00 0.00 C ATOM 202 O GLU A 30 -1.922 -18.522 -8.983 1.00 0.00 O ATOM 203 CB GLU A 30 -0.957 -17.020 -6.271 1.00 0.00 C ATOM 204 CG GLU A 30 -1.257 -15.876 -7.242 1.00 0.00 C ATOM 205 CD GLU A 30 -2.747 -15.825 -7.586 1.00 0.00 C ATOM 206 OE1 GLU A 30 -3.228 -14.808 -8.108 1.00 0.00 O ATOM 207 OE2 GLU A 30 -3.411 -16.891 -7.293 1.00 0.00 O ATOM 0 H GLU A 30 0.311 -17.714 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.244 -19.027 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.836 -17.222 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.157 -16.725 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.950 -14.929 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.674 -16.006 -8.154 1.00 0.00 H new ATOM 215 N CYS A 31 -2.495 -19.708 -7.145 1.00 0.00 N ATOM 216 CA CYS A 31 -3.652 -20.327 -7.769 1.00 0.00 C ATOM 217 C CYS A 31 -4.814 -19.333 -7.719 1.00 0.00 C ATOM 218 O CYS A 31 -5.017 -18.659 -6.711 1.00 0.00 O ATOM 219 CB CYS A 31 -4.011 -21.657 -7.103 1.00 0.00 C ATOM 220 SG CYS A 31 -3.718 -23.039 -8.266 1.00 0.00 S ATOM 0 H CYS A 31 -2.334 -19.984 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.423 -20.566 -8.808 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.412 -21.795 -6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.056 -21.647 -6.793 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.105 -24.004 -7.647 1.00 0.00 H new ATOM 225 N GLU A 32 -5.547 -19.273 -8.822 1.00 0.00 N ATOM 226 CA GLU A 32 -6.683 -18.372 -8.917 1.00 0.00 C ATOM 227 C GLU A 32 -7.990 -19.144 -8.722 1.00 0.00 C ATOM 228 O GLU A 32 -9.059 -18.669 -9.103 1.00 0.00 O ATOM 229 CB GLU A 32 -6.682 -17.626 -10.253 1.00 0.00 C ATOM 230 CG GLU A 32 -5.655 -16.492 -10.245 1.00 0.00 C ATOM 231 CD GLU A 32 -4.312 -16.963 -10.806 1.00 0.00 C ATOM 232 OE1 GLU A 32 -3.255 -16.600 -10.271 1.00 0.00 O ATOM 233 OE2 GLU A 32 -4.393 -17.736 -11.836 1.00 0.00 O ATOM 0 H GLU A 32 -5.376 -19.834 -9.657 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.600 -17.629 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.456 -18.321 -11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.675 -17.221 -10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.027 -15.656 -10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.520 -16.127 -9.227 1.00 0.00 H new ATOM 241 N VAL A 33 -7.862 -20.322 -8.128 1.00 0.00 N ATOM 242 CA VAL A 33 -9.019 -21.164 -7.877 1.00 0.00 C ATOM 243 C VAL A 33 -9.360 -21.125 -6.386 1.00 0.00 C ATOM 244 O VAL A 33 -10.530 -21.183 -6.011 1.00 0.00 O ATOM 245 CB VAL A 33 -8.757 -22.580 -8.394 1.00 0.00 C ATOM 246 CG1 VAL A 33 -7.345 -23.044 -8.031 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.809 -23.559 -7.867 1.00 0.00 C ATOM 0 H VAL A 33 -6.974 -20.713 -7.813 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.888 -20.790 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.833 -22.559 -9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.185 -24.053 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.614 -22.369 -8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.228 -23.041 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.600 -24.558 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.779 -23.574 -6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.798 -23.243 -8.199 1.00 0.00 H new ATOM 257 N HIS A 34 -8.316 -21.027 -5.576 1.00 0.00 N ATOM 258 CA HIS A 34 -8.490 -20.979 -4.134 1.00 0.00 C ATOM 259 C HIS A 34 -7.580 -19.901 -3.543 1.00 0.00 C ATOM 260 O HIS A 34 -6.383 -20.123 -3.365 1.00 0.00 O ATOM 261 CB HIS A 34 -8.257 -22.358 -3.513 1.00 0.00 C ATOM 262 CG HIS A 34 -7.406 -23.276 -4.358 1.00 0.00 C ATOM 263 ND1 HIS A 34 -7.945 -24.222 -5.213 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.051 -23.383 -4.471 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.950 -24.863 -5.808 1.00 0.00 C ATOM 266 NE2 HIS A 34 -5.777 -24.343 -5.346 1.00 0.00 N ATOM 0 H HIS A 34 -7.347 -20.980 -5.891 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.518 -20.707 -3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.782 -22.232 -2.540 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.222 -22.834 -3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.324 -22.788 -3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.050 -25.658 -6.532 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.843 -24.642 -5.627 1.00 0.00 H new ATOM 274 N GLU A 35 -8.182 -18.757 -3.254 1.00 0.00 N ATOM 275 CA GLU A 35 -7.441 -17.644 -2.686 1.00 0.00 C ATOM 276 C GLU A 35 -6.813 -18.050 -1.351 1.00 0.00 C ATOM 277 O GLU A 35 -7.444 -18.733 -0.546 1.00 0.00 O ATOM 278 CB GLU A 35 -8.338 -16.416 -2.518 1.00 0.00 C ATOM 279 CG GLU A 35 -8.937 -15.988 -3.859 1.00 0.00 C ATOM 280 CD GLU A 35 -7.887 -15.298 -4.733 1.00 0.00 C ATOM 281 OE1 GLU A 35 -7.476 -14.167 -4.432 1.00 0.00 O ATOM 282 OE2 GLU A 35 -7.497 -15.979 -5.756 1.00 0.00 O ATOM 0 H GLU A 35 -9.175 -18.577 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.641 -17.377 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.138 -16.640 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.760 -15.594 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.333 -16.860 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.775 -15.312 -3.688 1.00 0.00 H new ATOM 290 N GLY A 36 -5.577 -17.613 -1.157 1.00 0.00 N ATOM 291 CA GLY A 36 -4.857 -17.922 0.066 1.00 0.00 C ATOM 292 C GLY A 36 -3.701 -18.886 -0.208 1.00 0.00 C ATOM 293 O GLY A 36 -2.675 -18.840 0.470 1.00 0.00 O ATOM 0 H GLY A 36 -5.056 -17.047 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.472 -17.003 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.539 -18.364 0.792 1.00 0.00 H new ATOM 297 N THR A 37 -3.905 -19.737 -1.203 1.00 0.00 N ATOM 298 CA THR A 37 -2.892 -20.711 -1.574 1.00 0.00 C ATOM 299 C THR A 37 -1.907 -20.101 -2.574 1.00 0.00 C ATOM 300 O THR A 37 -2.286 -19.756 -3.692 1.00 0.00 O ATOM 301 CB THR A 37 -3.606 -21.955 -2.106 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.984 -21.594 -2.103 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.527 -23.135 -1.136 1.00 0.00 C ATOM 0 H THR A 37 -4.756 -19.772 -1.764 1.00 0.00 H new ATOM 0 HA THR A 37 -2.292 -21.006 -0.713 1.00 0.00 H new ATOM 0 HB THR A 37 -3.169 -22.242 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.198 -21.115 -2.931 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.049 -23.992 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.483 -23.395 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.993 -22.860 -0.190 1.00 0.00 H new ATOM 311 N TYR A 38 -0.662 -19.988 -2.135 1.00 0.00 N ATOM 312 CA TYR A 38 0.380 -19.425 -2.977 1.00 0.00 C ATOM 313 C TYR A 38 1.628 -20.310 -2.969 1.00 0.00 C ATOM 314 O TYR A 38 1.686 -21.301 -2.243 1.00 0.00 O ATOM 315 CB TYR A 38 0.728 -18.067 -2.366 1.00 0.00 C ATOM 316 CG TYR A 38 -0.103 -16.906 -2.916 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.476 -16.913 -2.777 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.521 -15.851 -3.552 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.258 -15.820 -3.294 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.261 -14.759 -4.070 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.612 -14.797 -3.915 1.00 0.00 C ATOM 322 OH TYR A 38 -2.350 -13.765 -4.404 1.00 0.00 O ATOM 0 H TYR A 38 -0.351 -20.277 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 38 0.038 -19.343 -4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.590 -18.120 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.784 -17.860 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.964 -17.738 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.595 -15.845 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.333 -15.813 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.214 -13.928 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.756 -13.106 -4.820 1.00 0.00 H new ATOM 332 N PHE A 39 2.596 -19.920 -3.785 1.00 0.00 N ATOM 333 CA PHE A 39 3.840 -20.665 -3.881 1.00 0.00 C ATOM 334 C PHE A 39 4.859 -19.922 -4.747 1.00 0.00 C ATOM 335 O PHE A 39 4.668 -19.781 -5.954 1.00 0.00 O ATOM 336 CB PHE A 39 3.508 -22.005 -4.541 1.00 0.00 C ATOM 337 CG PHE A 39 3.244 -21.910 -6.045 1.00 0.00 C ATOM 338 CD1 PHE A 39 1.987 -21.657 -6.499 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.265 -22.078 -6.927 1.00 0.00 C ATOM 340 CE1 PHE A 39 1.741 -21.569 -7.895 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.019 -21.989 -8.323 1.00 0.00 C ATOM 342 CZ PHE A 39 2.763 -21.736 -8.777 1.00 0.00 C ATOM 0 H PHE A 39 2.544 -19.097 -4.386 1.00 0.00 H new ATOM 0 HA PHE A 39 4.273 -20.796 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.333 -22.697 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.630 -22.430 -4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.176 -21.523 -5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.263 -22.279 -6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.743 -21.370 -8.256 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.830 -22.122 -9.024 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.576 -21.668 -9.839 1.00 0.00 H new ATOM 352 N SER A 40 5.920 -19.467 -4.097 1.00 0.00 N ATOM 353 CA SER A 40 6.969 -18.742 -4.793 1.00 0.00 C ATOM 354 C SER A 40 8.002 -19.723 -5.351 1.00 0.00 C ATOM 355 O SER A 40 8.192 -20.808 -4.803 1.00 0.00 O ATOM 356 CB SER A 40 7.646 -17.729 -3.866 1.00 0.00 C ATOM 357 OG SER A 40 8.357 -18.365 -2.808 1.00 0.00 O ATOM 0 H SER A 40 6.076 -19.586 -3.096 1.00 0.00 H new ATOM 0 HA SER A 40 6.516 -18.193 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.333 -17.111 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.893 -17.062 -3.447 1.00 0.00 H new ATOM 0 HG SER A 40 8.776 -17.685 -2.240 1.00 0.00 H new ATOM 363 N ASP A 41 8.642 -19.307 -6.433 1.00 0.00 N ATOM 364 CA ASP A 41 9.651 -20.136 -7.071 1.00 0.00 C ATOM 365 C ASP A 41 10.504 -20.812 -5.996 1.00 0.00 C ATOM 366 O ASP A 41 11.451 -20.217 -5.485 1.00 0.00 O ATOM 367 CB ASP A 41 10.578 -19.295 -7.951 1.00 0.00 C ATOM 368 CG ASP A 41 10.878 -19.891 -9.328 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.850 -20.643 -9.501 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.055 -19.551 -10.261 1.00 0.00 O ATOM 0 H ASP A 41 8.482 -18.407 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 41 9.140 -20.875 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.130 -18.311 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.520 -19.147 -7.423 1.00 0.00 H new ATOM 376 N SER A 42 10.137 -22.046 -5.684 1.00 0.00 N ATOM 377 CA SER A 42 10.857 -22.810 -4.679 1.00 0.00 C ATOM 378 C SER A 42 12.223 -23.234 -5.223 1.00 0.00 C ATOM 379 O SER A 42 12.337 -23.634 -6.381 1.00 0.00 O ATOM 380 CB SER A 42 10.056 -24.037 -4.241 1.00 0.00 C ATOM 381 OG SER A 42 10.701 -24.748 -3.188 1.00 0.00 O ATOM 0 H SER A 42 9.350 -22.536 -6.109 1.00 0.00 H new ATOM 0 HA SER A 42 11.002 -22.174 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.065 -23.725 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.915 -24.701 -5.094 1.00 0.00 H new ATOM 0 HG SER A 42 10.157 -25.523 -2.936 1.00 0.00 H new ATOM 387 N GLY A 43 13.225 -23.132 -4.362 1.00 0.00 N ATOM 388 CA GLY A 43 14.578 -23.500 -4.742 1.00 0.00 C ATOM 389 C GLY A 43 15.466 -22.262 -4.875 1.00 0.00 C ATOM 390 O GLY A 43 16.678 -22.338 -4.678 1.00 0.00 O ATOM 0 H GLY A 43 13.127 -22.800 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.998 -24.175 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.559 -24.042 -5.688 1.00 0.00 H new ATOM 394 N ASP A 44 14.829 -21.149 -5.208 1.00 0.00 N ATOM 395 CA ASP A 44 15.546 -19.896 -5.370 1.00 0.00 C ATOM 396 C ASP A 44 14.660 -18.741 -4.898 1.00 0.00 C ATOM 397 O ASP A 44 13.983 -18.104 -5.704 1.00 0.00 O ATOM 398 CB ASP A 44 15.901 -19.650 -6.838 1.00 0.00 C ATOM 399 CG ASP A 44 17.310 -19.104 -7.080 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.741 -18.138 -6.432 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.985 -19.722 -7.989 1.00 0.00 O ATOM 0 H ASP A 44 13.824 -21.089 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 44 16.462 -19.954 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.792 -20.587 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.179 -18.950 -7.258 1.00 0.00 H new ATOM 407 N ILE A 45 14.692 -18.507 -3.595 1.00 0.00 N ATOM 408 CA ILE A 45 13.900 -17.440 -3.006 1.00 0.00 C ATOM 409 C ILE A 45 14.489 -16.089 -3.415 1.00 0.00 C ATOM 410 O ILE A 45 13.754 -15.123 -3.616 1.00 0.00 O ATOM 411 CB ILE A 45 13.788 -17.629 -1.492 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.568 -18.480 -1.135 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.778 -16.280 -0.770 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.324 -17.607 -0.956 1.00 0.00 C ATOM 0 H ILE A 45 15.254 -19.038 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 45 12.878 -17.471 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 45 14.670 -18.170 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.391 -19.215 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.763 -19.034 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.698 -16.443 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.702 -15.744 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.927 -15.691 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.471 -18.237 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.496 -16.889 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.118 -17.073 -1.883 1.00 0.00 H new ATOM 426 N SER A 46 15.809 -16.063 -3.525 1.00 0.00 N ATOM 427 CA SER A 46 16.505 -14.846 -3.907 1.00 0.00 C ATOM 428 C SER A 46 16.182 -14.492 -5.360 1.00 0.00 C ATOM 429 O SER A 46 16.252 -13.327 -5.749 1.00 0.00 O ATOM 430 CB SER A 46 18.016 -14.993 -3.719 1.00 0.00 C ATOM 431 OG SER A 46 18.467 -16.307 -4.036 1.00 0.00 O ATOM 0 H SER A 46 16.415 -16.866 -3.356 1.00 0.00 H new ATOM 0 HA SER A 46 16.163 -14.039 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.532 -14.270 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.278 -14.759 -2.687 1.00 0.00 H new ATOM 0 HG SER A 46 18.030 -16.613 -4.858 1.00 0.00 H new ATOM 437 N GLU A 47 15.835 -15.518 -6.122 1.00 0.00 N ATOM 438 CA GLU A 47 15.501 -15.330 -7.524 1.00 0.00 C ATOM 439 C GLU A 47 14.304 -14.388 -7.662 1.00 0.00 C ATOM 440 O GLU A 47 14.139 -13.734 -8.691 1.00 0.00 O ATOM 441 CB GLU A 47 15.226 -16.671 -8.207 1.00 0.00 C ATOM 442 CG GLU A 47 14.900 -16.475 -9.689 1.00 0.00 C ATOM 443 CD GLU A 47 16.134 -16.009 -10.464 1.00 0.00 C ATOM 444 OE1 GLU A 47 16.392 -14.799 -10.551 1.00 0.00 O ATOM 445 OE2 GLU A 47 16.839 -16.955 -10.987 1.00 0.00 O ATOM 0 H GLU A 47 15.778 -16.483 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 47 16.356 -14.875 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.096 -17.320 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.394 -17.172 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.533 -17.410 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.101 -15.742 -9.795 1.00 0.00 H new ATOM 453 N ALA A 48 13.498 -14.348 -6.611 1.00 0.00 N ATOM 454 CA ALA A 48 12.320 -13.497 -6.603 1.00 0.00 C ATOM 455 C ALA A 48 12.756 -12.031 -6.652 1.00 0.00 C ATOM 456 O ALA A 48 12.265 -11.261 -7.477 1.00 0.00 O ATOM 457 CB ALA A 48 11.472 -13.812 -5.370 1.00 0.00 C ATOM 0 H ALA A 48 13.638 -14.891 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 48 11.702 -13.687 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.588 -13.174 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.165 -14.857 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.058 -13.629 -4.469 1.00 0.00 H new ATOM 463 N GLU A 49 13.673 -11.689 -5.759 1.00 0.00 N ATOM 464 CA GLU A 49 14.180 -10.329 -5.690 1.00 0.00 C ATOM 465 C GLU A 49 15.001 -10.005 -6.940 1.00 0.00 C ATOM 466 O GLU A 49 14.956 -8.883 -7.443 1.00 0.00 O ATOM 467 CB GLU A 49 15.006 -10.115 -4.421 1.00 0.00 C ATOM 468 CG GLU A 49 16.151 -11.127 -4.335 1.00 0.00 C ATOM 469 CD GLU A 49 17.205 -10.677 -3.321 1.00 0.00 C ATOM 470 OE1 GLU A 49 18.367 -10.454 -3.692 1.00 0.00 O ATOM 471 OE2 GLU A 49 16.780 -10.561 -2.108 1.00 0.00 O ATOM 0 H GLU A 49 14.078 -12.330 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 49 13.331 -9.647 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.409 -9.102 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.365 -10.211 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.758 -12.102 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.612 -11.245 -5.316 1.00 0.00 H new ATOM 479 N GLU A 50 15.732 -11.007 -7.406 1.00 0.00 N ATOM 480 CA GLU A 50 16.561 -10.843 -8.587 1.00 0.00 C ATOM 481 C GLU A 50 15.692 -10.541 -9.809 1.00 0.00 C ATOM 482 O GLU A 50 15.842 -9.496 -10.440 1.00 0.00 O ATOM 483 CB GLU A 50 17.430 -12.080 -8.823 1.00 0.00 C ATOM 484 CG GLU A 50 18.450 -11.829 -9.935 1.00 0.00 C ATOM 485 CD GLU A 50 19.393 -13.024 -10.094 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.605 -13.778 -9.133 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.912 -13.157 -11.268 1.00 0.00 O ATOM 0 H GLU A 50 15.767 -11.936 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 50 17.228 -9.997 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.949 -12.346 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.798 -12.928 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.930 -11.644 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.028 -10.933 -9.708 1.00 0.00 H new ATOM 495 N LEU A 51 14.801 -11.476 -10.106 1.00 0.00 N ATOM 496 CA LEU A 51 13.907 -11.323 -11.241 1.00 0.00 C ATOM 497 C LEU A 51 13.034 -10.083 -11.035 1.00 0.00 C ATOM 498 O LEU A 51 12.587 -9.467 -12.001 1.00 0.00 O ATOM 499 CB LEU A 51 13.106 -12.607 -11.470 1.00 0.00 C ATOM 500 CG LEU A 51 11.588 -12.443 -11.567 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.015 -11.863 -10.272 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.205 -11.606 -12.789 1.00 0.00 C ATOM 0 H LEU A 51 14.679 -12.342 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 51 14.478 -11.163 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.460 -13.074 -12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.325 -13.298 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 51 11.145 -13.430 -11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.934 -11.757 -10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.242 -12.532 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.460 -10.886 -10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.121 -11.504 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.659 -10.618 -12.710 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.562 -12.098 -13.694 1.00 0.00 H new ATOM 514 N ALA A 52 12.818 -9.755 -9.770 1.00 0.00 N ATOM 515 CA ALA A 52 12.008 -8.600 -9.424 1.00 0.00 C ATOM 516 C ALA A 52 12.757 -7.322 -9.809 1.00 0.00 C ATOM 517 O ALA A 52 12.147 -6.350 -10.250 1.00 0.00 O ATOM 518 CB ALA A 52 11.660 -8.646 -7.935 1.00 0.00 C ATOM 0 H ALA A 52 13.190 -10.269 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 52 11.069 -8.611 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.052 -7.779 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.102 -9.557 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.577 -8.635 -7.346 1.00 0.00 H new ATOM 524 N ARG A 53 14.069 -7.367 -9.626 1.00 0.00 N ATOM 525 CA ARG A 53 14.908 -6.225 -9.949 1.00 0.00 C ATOM 526 C ARG A 53 14.953 -6.009 -11.463 1.00 0.00 C ATOM 527 O ARG A 53 14.917 -4.873 -11.933 1.00 0.00 O ATOM 528 CB ARG A 53 16.332 -6.423 -9.426 1.00 0.00 C ATOM 529 CG ARG A 53 17.364 -5.997 -10.472 1.00 0.00 C ATOM 530 CD ARG A 53 18.752 -5.850 -9.845 1.00 0.00 C ATOM 531 NE ARG A 53 19.447 -7.157 -9.842 1.00 0.00 N ATOM 532 CZ ARG A 53 20.489 -7.451 -9.053 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.963 -6.534 -8.199 1.00 0.00 N ATOM 534 NH2 ARG A 53 21.057 -8.663 -9.118 1.00 0.00 N ATOM 0 H ARG A 53 14.571 -8.175 -9.259 1.00 0.00 H new ATOM 0 HA ARG A 53 14.474 -5.349 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.472 -5.843 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.485 -7.470 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.400 -6.734 -11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.062 -5.051 -10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.337 -5.119 -10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.662 -5.474 -8.826 1.00 0.00 H new ATOM 0 HE ARG A 53 19.112 -7.879 -10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.530 -5.612 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.756 -6.758 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.696 -9.361 -9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.850 -8.887 -8.517 1.00 0.00 H new ATOM 548 N GLU A 54 15.030 -7.118 -12.184 1.00 0.00 N ATOM 549 CA GLU A 54 15.080 -7.065 -13.635 1.00 0.00 C ATOM 550 C GLU A 54 13.712 -6.674 -14.199 1.00 0.00 C ATOM 551 O GLU A 54 13.597 -5.695 -14.934 1.00 0.00 O ATOM 552 CB GLU A 54 15.552 -8.399 -14.217 1.00 0.00 C ATOM 553 CG GLU A 54 15.767 -8.293 -15.728 1.00 0.00 C ATOM 554 CD GLU A 54 17.022 -7.477 -16.047 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.042 -6.258 -15.825 1.00 0.00 O ATOM 556 OE2 GLU A 54 18.001 -8.155 -16.543 1.00 0.00 O ATOM 0 H GLU A 54 15.059 -8.058 -11.790 1.00 0.00 H new ATOM 0 HA GLU A 54 15.803 -6.303 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.481 -8.702 -13.734 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.815 -9.174 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.859 -9.291 -16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.898 -7.826 -16.191 1.00 0.00 H new ATOM 564 N LYS A 55 12.711 -7.461 -13.834 1.00 0.00 N ATOM 565 CA LYS A 55 11.356 -7.209 -14.295 1.00 0.00 C ATOM 566 C LYS A 55 10.974 -5.762 -13.979 1.00 0.00 C ATOM 567 O LYS A 55 10.521 -5.030 -14.857 1.00 0.00 O ATOM 568 CB LYS A 55 10.390 -8.241 -13.708 1.00 0.00 C ATOM 569 CG LYS A 55 10.239 -9.443 -14.643 1.00 0.00 C ATOM 570 CD LYS A 55 9.427 -9.073 -15.885 1.00 0.00 C ATOM 571 CE LYS A 55 9.255 -10.281 -16.809 1.00 0.00 C ATOM 572 NZ LYS A 55 10.540 -10.624 -17.457 1.00 0.00 N ATOM 0 H LYS A 55 12.811 -8.273 -13.225 1.00 0.00 H new ATOM 0 HA LYS A 55 11.295 -7.326 -15.377 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.755 -8.575 -12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.416 -7.780 -13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.224 -9.802 -14.942 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.749 -10.260 -14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.448 -8.698 -15.585 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.926 -8.267 -16.423 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.890 -11.134 -16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.505 -10.061 -17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.378 -11.342 -18.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.948 -9.772 -17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.199 -10.999 -16.745 1.00 0.00 H new ATOM 586 N PHE A 56 11.172 -5.392 -12.722 1.00 0.00 N ATOM 587 CA PHE A 56 10.855 -4.045 -12.279 1.00 0.00 C ATOM 588 C PHE A 56 11.726 -3.012 -12.997 1.00 0.00 C ATOM 589 O PHE A 56 11.253 -1.934 -13.351 1.00 0.00 O ATOM 590 CB PHE A 56 11.147 -3.987 -10.779 1.00 0.00 C ATOM 591 CG PHE A 56 10.764 -2.660 -10.121 1.00 0.00 C ATOM 592 CD1 PHE A 56 11.613 -1.599 -10.186 1.00 0.00 C ATOM 593 CD2 PHE A 56 9.576 -2.541 -9.471 1.00 0.00 C ATOM 594 CE1 PHE A 56 11.257 -0.367 -9.576 1.00 0.00 C ATOM 595 CE2 PHE A 56 9.220 -1.309 -8.861 1.00 0.00 C ATOM 596 CZ PHE A 56 10.068 -0.248 -8.926 1.00 0.00 C ATOM 0 H PHE A 56 11.548 -6.002 -11.996 1.00 0.00 H new ATOM 0 HA PHE A 56 9.812 -3.817 -12.499 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.609 -4.795 -10.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.210 -4.166 -10.619 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.557 -1.694 -10.701 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.903 -3.384 -9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.930 0.476 -9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.276 -1.215 -8.345 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.798 0.689 -8.462 1.00 0.00 H new ATOM 606 N GLU A 57 12.985 -3.379 -13.191 1.00 0.00 N ATOM 607 CA GLU A 57 13.926 -2.498 -13.860 1.00 0.00 C ATOM 608 C GLU A 57 13.652 -2.474 -15.366 1.00 0.00 C ATOM 609 O GLU A 57 14.227 -1.664 -16.091 1.00 0.00 O ATOM 610 CB GLU A 57 15.369 -2.918 -13.573 1.00 0.00 C ATOM 611 CG GLU A 57 16.359 -2.041 -14.342 1.00 0.00 C ATOM 612 CD GLU A 57 16.099 -0.557 -14.077 1.00 0.00 C ATOM 613 OE1 GLU A 57 15.481 -0.208 -13.060 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.564 0.247 -14.972 1.00 0.00 O ATOM 0 H GLU A 57 13.374 -4.274 -12.896 1.00 0.00 H new ATOM 0 HA GLU A 57 13.791 -1.490 -13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.567 -2.844 -12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.510 -3.962 -13.852 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.378 -2.293 -14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.276 -2.243 -15.410 1.00 0.00 H new ATOM 622 N LYS A 58 12.774 -3.370 -15.790 1.00 0.00 N ATOM 623 CA LYS A 58 12.417 -3.461 -17.195 1.00 0.00 C ATOM 624 C LYS A 58 11.444 -2.333 -17.544 1.00 0.00 C ATOM 625 O LYS A 58 10.998 -2.224 -18.685 1.00 0.00 O ATOM 626 CB LYS A 58 11.883 -4.857 -17.523 1.00 0.00 C ATOM 627 CG LYS A 58 11.695 -5.032 -19.031 1.00 0.00 C ATOM 628 CD LYS A 58 12.950 -4.601 -19.793 1.00 0.00 C ATOM 629 CE LYS A 58 12.937 -5.145 -21.223 1.00 0.00 C ATOM 630 NZ LYS A 58 14.291 -5.076 -21.817 1.00 0.00 N ATOM 0 H LYS A 58 12.299 -4.040 -15.185 1.00 0.00 H new ATOM 0 HA LYS A 58 13.299 -3.327 -17.821 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.575 -5.612 -17.149 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.932 -5.016 -17.014 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.470 -6.075 -19.255 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.841 -4.442 -19.366 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.011 -3.513 -19.815 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.837 -4.960 -19.272 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.586 -6.177 -21.222 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.237 -4.571 -21.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.264 -5.449 -22.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.612 -4.087 -21.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.950 -5.643 -21.246 1.00 0.00 H new ATOM 754 N VAL A 67 16.076 0.622 -5.486 1.00 0.00 N ATOM 755 CA VAL A 67 15.886 -0.665 -6.134 1.00 0.00 C ATOM 756 C VAL A 67 16.203 -1.783 -5.139 1.00 0.00 C ATOM 757 O VAL A 67 15.542 -2.821 -5.134 1.00 0.00 O ATOM 758 CB VAL A 67 16.730 -0.740 -7.407 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.155 -0.244 -7.150 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.738 -2.159 -7.978 1.00 0.00 C ATOM 0 HA VAL A 67 14.848 -0.788 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 67 16.275 -0.084 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.734 -0.308 -8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.124 0.792 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 67 18.623 -0.862 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.345 -2.184 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.156 -2.845 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.718 -2.461 -8.217 1.00 0.00 H new ATOM 770 N GLU A 68 17.215 -1.535 -4.321 1.00 0.00 N ATOM 771 CA GLU A 68 17.629 -2.508 -3.325 1.00 0.00 C ATOM 772 C GLU A 68 16.542 -2.671 -2.260 1.00 0.00 C ATOM 773 O GLU A 68 16.338 -3.767 -1.740 1.00 0.00 O ATOM 774 CB GLU A 68 18.962 -2.109 -2.690 1.00 0.00 C ATOM 775 CG GLU A 68 19.160 -2.810 -1.344 1.00 0.00 C ATOM 776 CD GLU A 68 20.647 -2.952 -1.013 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.361 -1.942 -0.922 1.00 0.00 O ATOM 778 OE2 GLU A 68 21.055 -4.164 -0.845 1.00 0.00 O ATOM 0 H GLU A 68 17.761 -0.673 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 68 17.773 -3.468 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.781 -2.367 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.993 -1.029 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.661 -2.243 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.694 -3.795 -1.371 1.00 0.00 H new ATOM 786 N GLU A 69 15.873 -1.566 -1.968 1.00 0.00 N ATOM 787 CA GLU A 69 14.813 -1.573 -0.975 1.00 0.00 C ATOM 788 C GLU A 69 13.578 -2.292 -1.522 1.00 0.00 C ATOM 789 O GLU A 69 12.833 -2.916 -0.768 1.00 0.00 O ATOM 790 CB GLU A 69 14.467 -0.150 -0.531 1.00 0.00 C ATOM 791 CG GLU A 69 13.287 -0.151 0.443 1.00 0.00 C ATOM 792 CD GLU A 69 13.719 -0.642 1.827 1.00 0.00 C ATOM 793 OE1 GLU A 69 14.914 -0.887 2.052 1.00 0.00 O ATOM 794 OE2 GLU A 69 12.764 -0.767 2.684 1.00 0.00 O ATOM 0 H GLU A 69 16.045 -0.659 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 69 15.167 -2.116 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.335 0.308 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.223 0.458 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.875 0.855 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.493 -0.791 0.058 1.00 0.00 H new ATOM 802 N LEU A 70 13.399 -2.180 -2.830 1.00 0.00 N ATOM 803 CA LEU A 70 12.267 -2.812 -3.487 1.00 0.00 C ATOM 804 C LEU A 70 12.516 -4.318 -3.587 1.00 0.00 C ATOM 805 O LEU A 70 11.689 -5.118 -3.152 1.00 0.00 O ATOM 806 CB LEU A 70 11.989 -2.144 -4.835 1.00 0.00 C ATOM 807 CG LEU A 70 10.530 -2.141 -5.294 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.416 -2.557 -6.762 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.667 -3.015 -4.382 1.00 0.00 C ATOM 0 H LEU A 70 14.019 -1.661 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 70 11.360 -2.677 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.335 -1.112 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.588 -2.644 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 70 10.150 -1.122 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.368 -2.547 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.979 -1.860 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.820 -3.562 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.634 -2.996 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.038 -4.040 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.713 -2.633 -3.362 1.00 0.00 H new ATOM 821 N VAL A 71 13.660 -4.659 -4.162 1.00 0.00 N ATOM 822 CA VAL A 71 14.029 -6.056 -4.324 1.00 0.00 C ATOM 823 C VAL A 71 13.882 -6.776 -2.982 1.00 0.00 C ATOM 824 O VAL A 71 13.286 -7.851 -2.913 1.00 0.00 O ATOM 825 CB VAL A 71 15.439 -6.160 -4.907 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.477 -5.642 -6.346 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.451 -5.420 -4.031 1.00 0.00 C ATOM 0 H VAL A 71 14.344 -3.993 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 71 13.362 -6.548 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 71 15.718 -7.214 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.491 -5.727 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.800 -6.232 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.168 -4.597 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.445 -5.510 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.176 -4.367 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.454 -5.855 -3.032 1.00 0.00 H new ATOM 837 N LYS A 72 14.435 -6.157 -1.950 1.00 0.00 N ATOM 838 CA LYS A 72 14.373 -6.726 -0.615 1.00 0.00 C ATOM 839 C LYS A 72 12.910 -6.837 -0.180 1.00 0.00 C ATOM 840 O LYS A 72 12.523 -7.809 0.467 1.00 0.00 O ATOM 841 CB LYS A 72 15.242 -5.920 0.352 1.00 0.00 C ATOM 842 CG LYS A 72 14.494 -4.688 0.867 1.00 0.00 C ATOM 843 CD LYS A 72 15.150 -4.138 2.135 1.00 0.00 C ATOM 844 CE LYS A 72 16.675 -4.205 2.037 1.00 0.00 C ATOM 845 NZ LYS A 72 17.168 -3.286 0.986 1.00 0.00 N ATOM 0 H LYS A 72 14.928 -5.266 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 72 14.785 -7.735 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.536 -6.549 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.159 -5.610 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.481 -3.917 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.456 -4.949 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.837 -3.106 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.812 -4.709 3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.119 -3.941 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.986 -5.225 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.208 -3.293 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.813 -3.596 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.830 -2.322 1.181 1.00 0.00 H new ATOM 859 N LYS A 73 12.137 -5.827 -0.551 1.00 0.00 N ATOM 860 CA LYS A 73 10.726 -5.799 -0.208 1.00 0.00 C ATOM 861 C LYS A 73 9.987 -6.868 -1.016 1.00 0.00 C ATOM 862 O LYS A 73 8.964 -7.388 -0.574 1.00 0.00 O ATOM 863 CB LYS A 73 10.158 -4.390 -0.389 1.00 0.00 C ATOM 864 CG LYS A 73 8.956 -4.160 0.529 1.00 0.00 C ATOM 865 CD LYS A 73 8.853 -2.691 0.941 1.00 0.00 C ATOM 866 CE LYS A 73 9.515 -2.454 2.300 1.00 0.00 C ATOM 867 NZ LYS A 73 10.937 -2.865 2.262 1.00 0.00 N ATOM 0 H LYS A 73 12.462 -5.022 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 73 10.586 -6.041 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.931 -3.652 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.860 -4.245 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.042 -4.463 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.048 -4.785 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.329 -2.064 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.805 -2.395 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.442 -1.400 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.988 -3.016 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.438 -2.459 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.000 -3.902 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.374 -2.523 1.382 1.00 0.00 H new ATOM 881 N VAL A 74 10.535 -7.164 -2.185 1.00 0.00 N ATOM 882 CA VAL A 74 9.941 -8.162 -3.059 1.00 0.00 C ATOM 883 C VAL A 74 10.055 -9.540 -2.404 1.00 0.00 C ATOM 884 O VAL A 74 9.050 -10.216 -2.192 1.00 0.00 O ATOM 885 CB VAL A 74 10.592 -8.101 -4.442 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.142 -9.276 -5.312 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.297 -6.766 -5.128 1.00 0.00 C ATOM 0 H VAL A 74 11.384 -6.730 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 74 8.880 -7.959 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 74 11.671 -8.178 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.619 -9.209 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.426 -10.213 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.059 -9.245 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.771 -6.749 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.220 -6.646 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.690 -5.950 -4.521 1.00 0.00 H new ATOM 897 N VAL A 75 11.290 -9.915 -2.102 1.00 0.00 N ATOM 898 CA VAL A 75 11.549 -11.200 -1.475 1.00 0.00 C ATOM 899 C VAL A 75 10.843 -11.253 -0.119 1.00 0.00 C ATOM 900 O VAL A 75 10.382 -12.313 0.304 1.00 0.00 O ATOM 901 CB VAL A 75 13.057 -11.438 -1.374 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.759 -10.242 -0.729 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.358 -12.728 -0.608 1.00 0.00 C ATOM 0 H VAL A 75 12.121 -9.352 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 75 11.145 -12.010 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 75 13.447 -11.550 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.830 -10.437 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.586 -9.350 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.362 -10.085 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.437 -12.874 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.947 -12.657 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.905 -13.573 -1.126 1.00 0.00 H new ATOM 913 N ALA A 76 10.779 -10.097 0.525 1.00 0.00 N ATOM 914 CA ALA A 76 10.137 -9.999 1.825 1.00 0.00 C ATOM 915 C ALA A 76 8.686 -10.468 1.708 1.00 0.00 C ATOM 916 O ALA A 76 8.255 -11.354 2.445 1.00 0.00 O ATOM 917 CB ALA A 76 10.246 -8.563 2.341 1.00 0.00 C ATOM 0 H ALA A 76 11.161 -9.220 0.171 1.00 0.00 H new ATOM 0 HA ALA A 76 10.635 -10.644 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.764 -8.489 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.297 -8.288 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.754 -7.887 1.642 1.00 0.00 H new ATOM 923 N VAL A 77 7.971 -9.852 0.778 1.00 0.00 N ATOM 924 CA VAL A 77 6.577 -10.196 0.556 1.00 0.00 C ATOM 925 C VAL A 77 6.465 -11.694 0.265 1.00 0.00 C ATOM 926 O VAL A 77 5.629 -12.382 0.847 1.00 0.00 O ATOM 927 CB VAL A 77 5.995 -9.325 -0.560 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.224 -10.174 -1.573 1.00 0.00 C ATOM 929 CG2 VAL A 77 5.109 -8.218 0.014 1.00 0.00 C ATOM 0 H VAL A 77 8.331 -9.117 0.170 1.00 0.00 H new ATOM 0 HA VAL A 77 5.987 -9.994 1.450 1.00 0.00 H new ATOM 0 HB VAL A 77 6.826 -8.852 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.821 -9.531 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.895 -10.909 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.406 -10.688 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.708 -7.614 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.287 -8.664 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.700 -7.587 0.678 1.00 0.00 H new ATOM 939 N CYS A 78 7.320 -12.154 -0.637 1.00 0.00 N ATOM 940 CA CYS A 78 7.328 -13.558 -1.012 1.00 0.00 C ATOM 941 C CYS A 78 7.430 -14.396 0.264 1.00 0.00 C ATOM 942 O CYS A 78 6.766 -15.423 0.391 1.00 0.00 O ATOM 943 CB CYS A 78 8.458 -13.874 -1.995 1.00 0.00 C ATOM 944 SG CYS A 78 9.849 -14.671 -1.113 1.00 0.00 S ATOM 0 H CYS A 78 8.012 -11.580 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 78 6.402 -13.803 -1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.092 -14.531 -2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.799 -12.958 -2.477 1.00 0.00 H new ATOM 0 HG CYS A 78 10.459 -13.789 -0.378 1.00 0.00 H new ATOM 950 N GLU A 79 8.268 -13.926 1.177 1.00 0.00 N ATOM 951 CA GLU A 79 8.465 -14.619 2.439 1.00 0.00 C ATOM 952 C GLU A 79 7.262 -14.400 3.358 1.00 0.00 C ATOM 953 O GLU A 79 6.930 -15.265 4.168 1.00 0.00 O ATOM 954 CB GLU A 79 9.762 -14.168 3.115 1.00 0.00 C ATOM 955 CG GLU A 79 10.250 -15.216 4.117 1.00 0.00 C ATOM 956 CD GLU A 79 11.533 -14.754 4.811 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.036 -15.446 5.708 1.00 0.00 O ATOM 958 OE2 GLU A 79 12.009 -13.633 4.387 1.00 0.00 O ATOM 0 H GLU A 79 8.818 -13.074 1.068 1.00 0.00 H new ATOM 0 HA GLU A 79 8.552 -15.686 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.529 -13.996 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.599 -13.219 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.476 -15.401 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.430 -16.160 3.603 1.00 0.00 H new ATOM 966 N GLU A 80 6.643 -13.240 3.203 1.00 0.00 N ATOM 967 CA GLU A 80 5.484 -12.896 4.010 1.00 0.00 C ATOM 968 C GLU A 80 4.284 -13.757 3.609 1.00 0.00 C ATOM 969 O GLU A 80 3.341 -13.912 4.383 1.00 0.00 O ATOM 970 CB GLU A 80 5.154 -11.407 3.891 1.00 0.00 C ATOM 971 CG GLU A 80 6.179 -10.557 4.644 1.00 0.00 C ATOM 972 CD GLU A 80 5.867 -9.066 4.499 1.00 0.00 C ATOM 973 OE1 GLU A 80 4.707 -8.696 4.261 1.00 0.00 O ATOM 974 OE2 GLU A 80 6.879 -8.280 4.644 1.00 0.00 O ATOM 0 H GLU A 80 6.922 -12.526 2.530 1.00 0.00 H new ATOM 0 HA GLU A 80 5.720 -13.099 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.137 -11.117 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.157 -11.219 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.180 -10.831 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.179 -10.762 4.261 1.00 0.00 H new ATOM 982 N LEU A 81 4.360 -14.295 2.401 1.00 0.00 N ATOM 983 CA LEU A 81 3.292 -15.136 1.888 1.00 0.00 C ATOM 984 C LEU A 81 3.492 -16.569 2.387 1.00 0.00 C ATOM 985 O LEU A 81 2.562 -17.374 2.364 1.00 0.00 O ATOM 986 CB LEU A 81 3.205 -15.023 0.364 1.00 0.00 C ATOM 987 CG LEU A 81 2.730 -13.674 -0.182 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.397 -13.773 -1.672 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.554 -13.136 0.635 1.00 0.00 C ATOM 0 H LEU A 81 5.145 -14.165 1.762 1.00 0.00 H new ATOM 0 HA LEU A 81 2.327 -14.798 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.189 -15.235 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.531 -15.798 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 81 3.545 -12.958 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.062 -12.801 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.285 -14.080 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.606 -14.508 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.236 -12.177 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.726 -13.843 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.862 -13.004 1.672 1.00 0.00 H new ATOM 1001 N GLY A 82 4.712 -16.843 2.826 1.00 0.00 N ATOM 1002 CA GLY A 82 5.046 -18.164 3.330 1.00 0.00 C ATOM 1003 C GLY A 82 4.262 -19.249 2.588 1.00 0.00 C ATOM 1004 O GLY A 82 3.594 -20.073 3.211 1.00 0.00 O ATOM 0 H GLY A 82 5.481 -16.173 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.115 -18.341 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.826 -18.217 4.396 1.00 0.00 H new ATOM 1008 N ALA A 83 4.369 -19.213 1.268 1.00 0.00 N ATOM 1009 CA ALA A 83 3.678 -20.183 0.435 1.00 0.00 C ATOM 1010 C ALA A 83 4.663 -20.772 -0.577 1.00 0.00 C ATOM 1011 O ALA A 83 5.441 -20.043 -1.189 1.00 0.00 O ATOM 1012 CB ALA A 83 2.480 -19.513 -0.240 1.00 0.00 C ATOM 0 H ALA A 83 4.923 -18.528 0.755 1.00 0.00 H new ATOM 0 HA ALA A 83 3.295 -21.005 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.961 -20.240 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.797 -19.136 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.827 -18.685 -0.858 1.00 0.00 H new ATOM 1018 N GLU A 84 4.597 -22.088 -0.721 1.00 0.00 N ATOM 1019 CA GLU A 84 5.473 -22.784 -1.648 1.00 0.00 C ATOM 1020 C GLU A 84 4.718 -23.921 -2.339 1.00 0.00 C ATOM 1021 O GLU A 84 5.329 -24.871 -2.825 1.00 0.00 O ATOM 1022 CB GLU A 84 6.720 -23.309 -0.934 1.00 0.00 C ATOM 1023 CG GLU A 84 7.993 -22.872 -1.662 1.00 0.00 C ATOM 1024 CD GLU A 84 8.514 -21.545 -1.108 1.00 0.00 C ATOM 1025 OE1 GLU A 84 7.959 -21.020 -0.131 1.00 0.00 O ATOM 1026 OE2 GLU A 84 9.534 -21.057 -1.730 1.00 0.00 O ATOM 0 H GLU A 84 3.950 -22.690 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 84 5.801 -22.076 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.739 -22.940 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.682 -24.397 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.759 -23.640 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.790 -22.770 -2.728 1.00 0.00 H new ATOM 1034 N GLU A 85 3.400 -23.786 -2.362 1.00 0.00 N ATOM 1035 CA GLU A 85 2.555 -24.790 -2.986 1.00 0.00 C ATOM 1036 C GLU A 85 1.134 -24.712 -2.423 1.00 0.00 C ATOM 1037 O GLU A 85 0.942 -24.362 -1.260 1.00 0.00 O ATOM 1038 CB GLU A 85 3.142 -26.191 -2.803 1.00 0.00 C ATOM 1039 CG GLU A 85 2.054 -27.260 -2.919 1.00 0.00 C ATOM 1040 CD GLU A 85 1.357 -27.481 -1.575 1.00 0.00 C ATOM 1041 OE1 GLU A 85 1.578 -26.711 -0.628 1.00 0.00 O ATOM 1042 OE2 GLU A 85 0.561 -28.495 -1.533 1.00 0.00 O ATOM 0 H GLU A 85 2.896 -22.996 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 85 2.512 -24.587 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.912 -26.368 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.625 -26.263 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.321 -26.958 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.494 -28.196 -3.263 1.00 0.00 H new ATOM 1050 N CYS A 86 0.176 -25.045 -3.275 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.221 -25.018 -2.877 1.00 0.00 C ATOM 1052 C CYS A 86 -1.699 -26.461 -2.701 1.00 0.00 C ATOM 1053 O CYS A 86 -1.804 -27.207 -3.673 1.00 0.00 O ATOM 1054 CB CYS A 86 -2.081 -24.251 -3.883 1.00 0.00 C ATOM 1055 SG CYS A 86 -2.019 -25.075 -5.516 1.00 0.00 S ATOM 0 H CYS A 86 0.340 -25.335 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.322 -24.485 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.111 -24.202 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.725 -23.225 -3.971 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.706 -26.327 -5.359 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.976 -26.811 -1.453 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.440 -28.151 -1.137 1.00 0.00 C ATOM 1062 C PHE A 87 -3.848 -28.387 -1.687 1.00 0.00 C ATOM 1063 O PHE A 87 -4.312 -29.525 -1.746 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.474 -28.264 0.388 1.00 0.00 C ATOM 1065 CG PHE A 87 -3.460 -27.307 1.061 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -4.757 -27.678 1.236 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.039 -26.084 1.483 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -5.671 -26.789 1.861 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.954 -25.195 2.108 1.00 0.00 C ATOM 1070 CZ PHE A 87 -5.251 -25.567 2.283 1.00 0.00 C ATOM 0 H PHE A 87 -1.888 -26.190 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.776 -28.891 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.733 -29.287 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.474 -28.073 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.091 -28.648 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.010 -25.789 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.700 -27.084 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.620 -24.224 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.947 -24.891 2.757 1.00 0.00 H new ATOM 1080 N SER A 88 -4.488 -27.294 -2.074 1.00 0.00 N ATOM 1081 CA SER A 88 -5.834 -27.368 -2.617 1.00 0.00 C ATOM 1082 C SER A 88 -5.848 -28.256 -3.863 1.00 0.00 C ATOM 1083 O SER A 88 -6.693 -29.141 -3.990 1.00 0.00 O ATOM 1084 CB SER A 88 -6.371 -25.975 -2.951 1.00 0.00 C ATOM 1085 OG SER A 88 -7.018 -25.370 -1.835 1.00 0.00 O ATOM 0 H SER A 88 -4.100 -26.352 -2.023 1.00 0.00 H new ATOM 0 HA SER A 88 -6.484 -27.806 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.549 -25.340 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.073 -26.047 -3.782 1.00 0.00 H new ATOM 0 HG SER A 88 -6.919 -24.396 -1.888 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.902 -27.988 -4.751 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.795 -28.752 -5.983 1.00 0.00 C ATOM 1093 C CYS A 89 -4.521 -30.212 -5.621 1.00 0.00 C ATOM 1094 O CYS A 89 -4.690 -31.104 -6.451 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.719 -28.182 -6.910 1.00 0.00 C ATOM 1096 SG CYS A 89 -4.419 -26.830 -7.926 1.00 0.00 S ATOM 0 H CYS A 89 -4.203 -27.253 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.731 -28.686 -6.537 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.881 -27.809 -6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.330 -28.969 -7.556 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.496 -26.352 -8.707 1.00 0.00 H new