USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 73 CYS SG : rot 90:sc= -0.829 USER MOD Set 1.2: A 80 SER OG : rot 97:sc= -4.19! USER MOD Set 2.1: A 55 HIS : no HE2:sc= -4.07 X(o=-4.3,f=-4.3) USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 47 TYR OH : rot -28:sc= 0.0889 USER MOD Single : A 48 SER OG : rot 167:sc= 0.835 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.07 USER MOD Single : A 57 SER OG : rot 76:sc= -0.366 USER MOD Single : A 58 LYS NZ :NH3+ -103:sc= -0.401 (180deg=-2.29!) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= -0.644 (180deg=-0.652) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 68 MET CE :methyl 169:sc=-0.00538 (180deg=-0.132) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -109:sc= -0.603 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= -0.825 (180deg=-2.26!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-4.1!) USER MOD Single : A 96 GLN : amide:sc=-0.00215 X(o=-0.0021,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N TYR A 47 -4.254 5.018 6.337 1.00 0.00 N ATOM 55 CA TYR A 47 -4.028 3.684 5.784 1.00 0.00 C ATOM 56 C TYR A 47 -3.760 2.661 6.885 1.00 0.00 C ATOM 57 O TYR A 47 -2.621 2.240 7.093 1.00 0.00 O ATOM 58 CB TYR A 47 -2.854 3.711 4.803 1.00 0.00 C ATOM 59 CG TYR A 47 -2.989 4.763 3.725 1.00 0.00 C ATOM 60 CD1 TYR A 47 -3.949 4.643 2.728 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.155 5.874 3.704 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.075 5.602 1.741 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.275 6.837 2.720 1.00 0.00 C ATOM 64 CZ TYR A 47 -3.236 6.696 1.741 1.00 0.00 C ATOM 65 OH TYR A 47 -3.358 7.653 0.759 1.00 0.00 O ATOM 0 HA TYR A 47 -4.934 3.385 5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.932 3.887 5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.761 2.732 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.607 3.787 2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.401 5.987 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.827 5.495 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.620 7.695 2.718 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.723 7.244 -0.053 1.00 0.00 H new ATOM 75 N SER A 48 -4.817 2.257 7.578 1.00 0.00 N ATOM 76 CA SER A 48 -4.698 1.273 8.648 1.00 0.00 C ATOM 77 C SER A 48 -4.475 -0.115 8.067 1.00 0.00 C ATOM 78 O SER A 48 -3.503 -0.792 8.398 1.00 0.00 O ATOM 79 CB SER A 48 -5.953 1.277 9.523 1.00 0.00 C ATOM 80 OG SER A 48 -7.104 0.944 8.767 1.00 0.00 O ATOM 0 H SER A 48 -5.766 2.595 7.419 1.00 0.00 H new ATOM 0 HA SER A 48 -3.840 1.540 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.833 0.566 10.340 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.082 2.261 9.974 1.00 0.00 H new ATOM 0 HG SER A 48 -7.848 0.746 9.374 1.00 0.00 H new ATOM 86 N GLU A 49 -5.391 -0.517 7.193 1.00 0.00 N ATOM 87 CA GLU A 49 -5.341 -1.811 6.531 1.00 0.00 C ATOM 88 C GLU A 49 -6.668 -2.097 5.841 1.00 0.00 C ATOM 89 O GLU A 49 -6.703 -2.688 4.765 1.00 0.00 O ATOM 90 CB GLU A 49 -5.038 -2.929 7.528 1.00 0.00 C ATOM 91 CG GLU A 49 -6.098 -3.093 8.603 1.00 0.00 C ATOM 92 CD GLU A 49 -5.511 -3.466 9.950 1.00 0.00 C ATOM 93 OE1 GLU A 49 -5.169 -2.547 10.724 1.00 0.00 O ATOM 94 OE2 GLU A 49 -5.392 -4.677 10.232 1.00 0.00 O ATOM 0 H GLU A 49 -6.194 0.051 6.924 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.541 -1.778 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.935 -3.869 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.078 -2.729 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.658 -2.163 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.807 -3.861 8.295 1.00 0.00 H new ATOM 101 N GLU A 50 -7.760 -1.671 6.469 1.00 0.00 N ATOM 102 CA GLU A 50 -9.093 -1.877 5.912 1.00 0.00 C ATOM 103 C GLU A 50 -9.203 -1.267 4.522 1.00 0.00 C ATOM 104 O GLU A 50 -9.525 -1.960 3.557 1.00 0.00 O ATOM 105 CB GLU A 50 -10.160 -1.285 6.837 1.00 0.00 C ATOM 106 CG GLU A 50 -9.866 0.141 7.280 1.00 0.00 C ATOM 107 CD GLU A 50 -10.239 0.389 8.729 1.00 0.00 C ATOM 108 OE1 GLU A 50 -9.408 0.098 9.614 1.00 0.00 O ATOM 109 OE2 GLU A 50 -11.363 0.873 8.978 1.00 0.00 O ATOM 0 H GLU A 50 -7.748 -1.181 7.364 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.260 -2.951 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.123 -1.306 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.254 -1.918 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.805 0.350 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.414 0.836 6.643 1.00 0.00 H new ATOM 116 N GLU A 51 -8.921 0.028 4.417 1.00 0.00 N ATOM 117 CA GLU A 51 -8.980 0.705 3.131 1.00 0.00 C ATOM 118 C GLU A 51 -7.990 0.060 2.177 1.00 0.00 C ATOM 119 O GLU A 51 -8.290 -0.162 1.003 1.00 0.00 O ATOM 120 CB GLU A 51 -8.671 2.196 3.292 1.00 0.00 C ATOM 121 CG GLU A 51 -9.603 3.099 2.500 1.00 0.00 C ATOM 122 CD GLU A 51 -10.321 4.109 3.373 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.917 3.697 4.391 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.288 5.312 3.039 1.00 0.00 O ATOM 0 H GLU A 51 -8.652 0.623 5.201 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.987 0.611 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.733 2.460 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.644 2.382 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.030 3.626 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.339 2.487 1.979 1.00 0.00 H new ATOM 131 N LEU A 52 -6.813 -0.263 2.702 1.00 0.00 N ATOM 132 CA LEU A 52 -5.780 -0.910 1.913 1.00 0.00 C ATOM 133 C LEU A 52 -6.286 -2.245 1.383 1.00 0.00 C ATOM 134 O LEU A 52 -6.202 -2.525 0.187 1.00 0.00 O ATOM 135 CB LEU A 52 -4.520 -1.115 2.750 1.00 0.00 C ATOM 136 CG LEU A 52 -3.992 0.153 3.415 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.891 -0.181 4.410 1.00 0.00 C ATOM 138 CD2 LEU A 52 -3.487 1.133 2.365 1.00 0.00 C ATOM 0 H LEU A 52 -6.554 -0.086 3.672 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.532 -0.268 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.728 -1.856 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.739 -1.529 2.113 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.811 0.623 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.528 0.737 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.285 -0.844 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.069 -0.675 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.114 2.032 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.682 0.671 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.303 1.399 1.693 1.00 0.00 H new ATOM 150 N LYS A 53 -6.830 -3.059 2.286 1.00 0.00 N ATOM 151 CA LYS A 53 -7.374 -4.359 1.918 1.00 0.00 C ATOM 152 C LYS A 53 -8.389 -4.203 0.794 1.00 0.00 C ATOM 153 O LYS A 53 -8.333 -4.904 -0.216 1.00 0.00 O ATOM 154 CB LYS A 53 -8.029 -5.021 3.134 1.00 0.00 C ATOM 155 CG LYS A 53 -7.274 -6.237 3.645 1.00 0.00 C ATOM 156 CD LYS A 53 -7.091 -7.278 2.553 1.00 0.00 C ATOM 157 CE LYS A 53 -7.554 -8.654 3.005 1.00 0.00 C ATOM 158 NZ LYS A 53 -8.841 -9.044 2.365 1.00 0.00 N ATOM 0 H LYS A 53 -6.904 -2.838 3.279 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.560 -4.995 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.108 -4.289 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.045 -5.318 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.299 -5.929 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.815 -6.678 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.651 -6.978 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.040 -7.324 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.790 -9.392 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.671 -8.660 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.123 -9.988 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.577 -8.354 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.723 -9.063 1.332 1.00 0.00 H new ATOM 172 N THR A 54 -9.309 -3.261 0.978 1.00 0.00 N ATOM 173 CA THR A 54 -10.334 -2.987 -0.021 1.00 0.00 C ATOM 174 C THR A 54 -9.686 -2.585 -1.336 1.00 0.00 C ATOM 175 O THR A 54 -10.086 -3.039 -2.408 1.00 0.00 O ATOM 176 CB THR A 54 -11.274 -1.882 0.464 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.508 -1.999 1.856 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.618 -1.892 -0.230 1.00 0.00 C ATOM 0 H THR A 54 -9.365 -2.675 1.811 1.00 0.00 H new ATOM 0 HA THR A 54 -10.919 -3.894 -0.177 1.00 0.00 H new ATOM 0 HB THR A 54 -10.768 -0.947 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.762 -1.598 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.235 -1.083 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.475 -1.754 -1.302 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.113 -2.846 -0.050 1.00 0.00 H new ATOM 186 N HIS A 55 -8.667 -1.739 -1.238 1.00 0.00 N ATOM 187 CA HIS A 55 -7.938 -1.279 -2.409 1.00 0.00 C ATOM 188 C HIS A 55 -7.328 -2.466 -3.141 1.00 0.00 C ATOM 189 O HIS A 55 -7.473 -2.605 -4.355 1.00 0.00 O ATOM 190 CB HIS A 55 -6.844 -0.294 -1.995 1.00 0.00 C ATOM 191 CG HIS A 55 -7.376 0.971 -1.396 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.533 1.582 -1.834 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.906 1.742 -0.387 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.749 2.673 -1.121 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.777 2.792 -0.236 1.00 0.00 N ATOM 0 H HIS A 55 -8.328 -1.358 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.630 -0.770 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.184 -0.778 -1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.239 -0.047 -2.867 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.128 1.244 -2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.012 1.564 0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.580 3.352 -1.242 1.00 0.00 H new ATOM 204 N ILE A 56 -6.656 -3.329 -2.385 1.00 0.00 N ATOM 205 CA ILE A 56 -6.034 -4.518 -2.951 1.00 0.00 C ATOM 206 C ILE A 56 -7.063 -5.374 -3.685 1.00 0.00 C ATOM 207 O ILE A 56 -6.837 -5.803 -4.817 1.00 0.00 O ATOM 208 CB ILE A 56 -5.343 -5.368 -1.865 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.321 -4.525 -1.100 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.671 -6.585 -2.485 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.120 -4.973 0.331 1.00 0.00 C ATOM 0 H ILE A 56 -6.529 -3.226 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.279 -4.176 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.102 -5.715 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.365 -4.564 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.644 -3.484 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.189 -7.172 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.419 -7.197 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.923 -6.259 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.383 -4.331 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.066 -4.907 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.767 -6.004 0.343 1.00 0.00 H new ATOM 223 N SER A 57 -8.195 -5.620 -3.028 1.00 0.00 N ATOM 224 CA SER A 57 -9.264 -6.428 -3.610 1.00 0.00 C ATOM 225 C SER A 57 -9.696 -5.885 -4.970 1.00 0.00 C ATOM 226 O SER A 57 -9.560 -6.559 -5.991 1.00 0.00 O ATOM 227 CB SER A 57 -10.466 -6.477 -2.664 1.00 0.00 C ATOM 228 OG SER A 57 -10.430 -5.407 -1.736 1.00 0.00 O ATOM 0 H SER A 57 -8.395 -5.271 -2.091 1.00 0.00 H new ATOM 0 HA SER A 57 -8.877 -7.437 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.389 -6.430 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.473 -7.426 -2.129 1.00 0.00 H new ATOM 0 HG SER A 57 -10.697 -4.577 -2.183 1.00 0.00 H new ATOM 234 N LYS A 58 -10.226 -4.666 -4.972 1.00 0.00 N ATOM 235 CA LYS A 58 -10.691 -4.033 -6.202 1.00 0.00 C ATOM 236 C LYS A 58 -9.550 -3.860 -7.200 1.00 0.00 C ATOM 237 O LYS A 58 -9.699 -4.161 -8.384 1.00 0.00 O ATOM 238 CB LYS A 58 -11.321 -2.675 -5.891 1.00 0.00 C ATOM 239 CG LYS A 58 -12.423 -2.739 -4.845 1.00 0.00 C ATOM 240 CD LYS A 58 -12.878 -1.350 -4.429 1.00 0.00 C ATOM 241 CE LYS A 58 -11.739 -0.553 -3.814 1.00 0.00 C ATOM 242 NZ LYS A 58 -12.207 0.325 -2.705 1.00 0.00 N ATOM 0 H LYS A 58 -10.344 -4.096 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.441 -4.684 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.543 -1.994 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.728 -2.254 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.271 -3.297 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.065 -3.283 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.269 -0.819 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.695 -1.433 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.979 -1.238 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.266 0.057 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.266 1.307 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.146 0.011 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.536 0.270 -1.912 1.00 0.00 H new ATOM 256 N GLY A 59 -8.414 -3.373 -6.716 1.00 0.00 N ATOM 257 CA GLY A 59 -7.267 -3.169 -7.582 1.00 0.00 C ATOM 258 C GLY A 59 -6.841 -1.714 -7.657 1.00 0.00 C ATOM 259 O GLY A 59 -6.155 -1.310 -8.596 1.00 0.00 O ATOM 0 H GLY A 59 -8.266 -3.116 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.432 -3.769 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.505 -3.526 -8.584 1.00 0.00 H new ATOM 263 N THR A 60 -7.243 -0.926 -6.665 1.00 0.00 N ATOM 264 CA THR A 60 -6.893 0.489 -6.621 1.00 0.00 C ATOM 265 C THR A 60 -5.685 0.727 -5.721 1.00 0.00 C ATOM 266 O THR A 60 -5.120 1.820 -5.708 1.00 0.00 O ATOM 267 CB THR A 60 -8.082 1.316 -6.129 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.559 0.821 -4.890 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.245 1.328 -7.098 1.00 0.00 C ATOM 0 H THR A 60 -7.812 -1.244 -5.880 1.00 0.00 H new ATOM 0 HA THR A 60 -6.635 0.803 -7.632 1.00 0.00 H new ATOM 0 HB THR A 60 -7.704 2.333 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.318 1.364 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.054 1.932 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.922 1.752 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.597 0.309 -7.256 1.00 0.00 H new ATOM 277 N LEU A 61 -5.281 -0.301 -4.976 1.00 0.00 N ATOM 278 CA LEU A 61 -4.129 -0.182 -4.092 1.00 0.00 C ATOM 279 C LEU A 61 -2.890 0.203 -4.892 1.00 0.00 C ATOM 280 O LEU A 61 -1.950 0.787 -4.355 1.00 0.00 O ATOM 281 CB LEU A 61 -3.885 -1.495 -3.340 1.00 0.00 C ATOM 282 CG LEU A 61 -2.637 -1.521 -2.447 1.00 0.00 C ATOM 283 CD1 LEU A 61 -1.386 -1.775 -3.276 1.00 0.00 C ATOM 284 CD2 LEU A 61 -2.504 -0.220 -1.664 1.00 0.00 C ATOM 0 H LEU A 61 -5.731 -1.216 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.336 0.600 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.757 -1.707 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.806 -2.302 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.749 -2.339 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.513 -1.789 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.475 -2.735 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.273 -0.982 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.613 -0.262 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.421 0.616 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.383 -0.083 -1.034 1.00 0.00 H new ATOM 296 N GLY A 62 -2.906 -0.118 -6.185 1.00 0.00 N ATOM 297 CA GLY A 62 -1.789 0.210 -7.048 1.00 0.00 C ATOM 298 C GLY A 62 -1.909 1.604 -7.641 1.00 0.00 C ATOM 299 O GLY A 62 -1.234 1.930 -8.618 1.00 0.00 O ATOM 0 H GLY A 62 -3.676 -0.601 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.861 0.137 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.728 -0.521 -7.854 1.00 0.00 H new ATOM 303 N LYS A 63 -2.776 2.427 -7.054 1.00 0.00 N ATOM 304 CA LYS A 63 -2.984 3.787 -7.534 1.00 0.00 C ATOM 305 C LYS A 63 -2.128 4.785 -6.755 1.00 0.00 C ATOM 306 O LYS A 63 -1.491 5.662 -7.339 1.00 0.00 O ATOM 307 CB LYS A 63 -4.461 4.169 -7.416 1.00 0.00 C ATOM 308 CG LYS A 63 -5.353 3.469 -8.430 1.00 0.00 C ATOM 309 CD LYS A 63 -6.278 4.450 -9.137 1.00 0.00 C ATOM 310 CE LYS A 63 -7.720 4.284 -8.685 1.00 0.00 C ATOM 311 NZ LYS A 63 -8.533 3.538 -9.685 1.00 0.00 N ATOM 0 H LYS A 63 -3.344 2.174 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.684 3.822 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.810 3.931 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.560 5.247 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.734 2.957 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.947 2.706 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.949 5.470 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.214 4.299 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.743 3.756 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.163 5.266 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.501 3.417 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.560 4.071 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.106 2.604 -9.852 1.00 0.00 H new ATOM 325 N PHE A 64 -2.132 4.650 -5.430 1.00 0.00 N ATOM 326 CA PHE A 64 -1.373 5.542 -4.553 1.00 0.00 C ATOM 327 C PHE A 64 0.049 5.778 -5.058 1.00 0.00 C ATOM 328 O PHE A 64 0.690 4.876 -5.598 1.00 0.00 O ATOM 329 CB PHE A 64 -1.322 4.974 -3.134 1.00 0.00 C ATOM 330 CG PHE A 64 -2.677 4.791 -2.514 1.00 0.00 C ATOM 331 CD1 PHE A 64 -3.552 5.859 -2.405 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.076 3.552 -2.039 1.00 0.00 C ATOM 333 CE1 PHE A 64 -4.800 5.696 -1.835 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.322 3.382 -1.467 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.185 4.455 -1.365 1.00 0.00 C ATOM 0 H PHE A 64 -2.656 3.927 -4.937 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.890 6.501 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.807 4.013 -3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.730 5.640 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.255 6.831 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.405 2.709 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.473 6.537 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.621 2.411 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.160 4.324 -0.918 1.00 0.00 H new ATOM 345 N THR A 65 0.533 7.001 -4.862 1.00 0.00 N ATOM 346 CA THR A 65 1.880 7.379 -5.275 1.00 0.00 C ATOM 347 C THR A 65 2.921 6.786 -4.331 1.00 0.00 C ATOM 348 O THR A 65 2.595 5.983 -3.458 1.00 0.00 O ATOM 349 CB THR A 65 2.006 8.904 -5.309 1.00 0.00 C ATOM 350 OG1 THR A 65 1.620 9.465 -4.067 1.00 0.00 O ATOM 351 CG2 THR A 65 1.161 9.549 -6.385 1.00 0.00 C ATOM 0 H THR A 65 0.007 7.752 -4.416 1.00 0.00 H new ATOM 0 HA THR A 65 2.060 6.983 -6.274 1.00 0.00 H new ATOM 0 HB THR A 65 3.056 9.104 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.708 10.440 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.296 10.630 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.466 9.172 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.111 9.310 -6.215 1.00 0.00 H new ATOM 359 N VAL A 66 4.172 7.189 -4.513 1.00 0.00 N ATOM 360 CA VAL A 66 5.267 6.701 -3.682 1.00 0.00 C ATOM 361 C VAL A 66 5.251 7.362 -2.300 1.00 0.00 C ATOM 362 O VAL A 66 5.418 6.684 -1.286 1.00 0.00 O ATOM 363 CB VAL A 66 6.626 6.962 -4.365 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.784 6.571 -3.456 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.707 6.219 -5.691 1.00 0.00 C ATOM 0 H VAL A 66 4.455 7.855 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 66 5.130 5.627 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 66 6.705 8.031 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.728 6.766 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.739 7.156 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.715 5.510 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.672 6.414 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.599 5.149 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.908 6.561 -6.349 1.00 0.00 H new ATOM 375 N PRO A 67 5.047 8.693 -2.232 1.00 0.00 N ATOM 376 CA PRO A 67 5.011 9.416 -0.955 1.00 0.00 C ATOM 377 C PRO A 67 3.893 8.920 -0.045 1.00 0.00 C ATOM 378 O PRO A 67 4.063 8.820 1.170 1.00 0.00 O ATOM 379 CB PRO A 67 4.760 10.873 -1.363 1.00 0.00 C ATOM 380 CG PRO A 67 5.142 10.946 -2.801 1.00 0.00 C ATOM 381 CD PRO A 67 4.834 9.595 -3.376 1.00 0.00 C ATOM 0 HA PRO A 67 5.931 9.277 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.715 11.148 -1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.357 11.559 -0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.581 11.727 -3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.199 11.187 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.812 9.539 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.492 9.352 -4.210 1.00 0.00 H new ATOM 389 N MET A 68 2.751 8.610 -0.645 1.00 0.00 N ATOM 390 CA MET A 68 1.598 8.120 0.104 1.00 0.00 C ATOM 391 C MET A 68 1.748 6.636 0.419 1.00 0.00 C ATOM 392 O MET A 68 1.269 6.155 1.445 1.00 0.00 O ATOM 393 CB MET A 68 0.312 8.357 -0.691 1.00 0.00 C ATOM 394 CG MET A 68 -0.381 9.666 -0.350 1.00 0.00 C ATOM 395 SD MET A 68 -0.885 10.591 -1.815 1.00 0.00 S ATOM 396 CE MET A 68 -1.978 9.411 -2.601 1.00 0.00 C ATOM 0 H MET A 68 2.597 8.689 -1.650 1.00 0.00 H new ATOM 0 HA MET A 68 1.543 8.669 1.044 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.545 8.346 -1.756 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.376 7.532 -0.507 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.258 9.459 0.263 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.289 10.281 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.520 9.900 -3.410 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.392 8.585 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.688 9.028 -1.868 1.00 0.00 H new ATOM 406 N LEU A 69 2.418 5.917 -0.474 1.00 0.00 N ATOM 407 CA LEU A 69 2.639 4.487 -0.301 1.00 0.00 C ATOM 408 C LEU A 69 3.438 4.207 0.967 1.00 0.00 C ATOM 409 O LEU A 69 3.115 3.294 1.727 1.00 0.00 O ATOM 410 CB LEU A 69 3.366 3.923 -1.520 1.00 0.00 C ATOM 411 CG LEU A 69 2.453 3.396 -2.626 1.00 0.00 C ATOM 412 CD1 LEU A 69 3.178 3.397 -3.965 1.00 0.00 C ATOM 413 CD2 LEU A 69 1.952 2.001 -2.283 1.00 0.00 C ATOM 0 H LEU A 69 2.819 6.303 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 69 1.670 3.998 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.005 4.702 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.020 3.115 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 69 1.591 4.058 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.511 3.018 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.482 4.414 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.060 2.760 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.303 1.641 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.801 1.326 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.392 2.035 -1.348 1.00 0.00 H new ATOM 425 N LYS A 70 4.482 4.999 1.191 1.00 0.00 N ATOM 426 CA LYS A 70 5.328 4.839 2.370 1.00 0.00 C ATOM 427 C LYS A 70 4.489 4.781 3.645 1.00 0.00 C ATOM 428 O LYS A 70 4.781 4.007 4.557 1.00 0.00 O ATOM 429 CB LYS A 70 6.337 5.988 2.457 1.00 0.00 C ATOM 430 CG LYS A 70 7.781 5.541 2.296 1.00 0.00 C ATOM 431 CD LYS A 70 8.224 5.602 0.843 1.00 0.00 C ATOM 432 CE LYS A 70 9.727 5.799 0.725 1.00 0.00 C ATOM 433 NZ LYS A 70 10.081 7.216 0.435 1.00 0.00 N ATOM 0 H LYS A 70 4.763 5.759 0.571 1.00 0.00 H new ATOM 0 HA LYS A 70 5.867 3.897 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.105 6.724 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.225 6.487 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.429 6.174 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.892 4.523 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.936 4.682 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.708 6.419 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.208 5.487 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.116 5.158 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.114 7.308 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.644 7.506 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.733 7.825 1.203 1.00 0.00 H new ATOM 447 N GLU A 71 3.448 5.607 3.702 1.00 0.00 N ATOM 448 CA GLU A 71 2.567 5.653 4.865 1.00 0.00 C ATOM 449 C GLU A 71 1.983 4.276 5.168 1.00 0.00 C ATOM 450 O GLU A 71 2.077 3.786 6.293 1.00 0.00 O ATOM 451 CB GLU A 71 1.438 6.662 4.639 1.00 0.00 C ATOM 452 CG GLU A 71 1.722 8.034 5.228 1.00 0.00 C ATOM 453 CD GLU A 71 0.695 9.070 4.814 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.851 9.657 3.722 1.00 0.00 O ATOM 455 OE2 GLU A 71 -0.265 9.294 5.581 1.00 0.00 O ATOM 0 H GLU A 71 3.194 6.254 2.956 1.00 0.00 H new ATOM 0 HA GLU A 71 3.161 5.969 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.263 6.765 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.519 6.271 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.742 7.962 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.712 8.363 4.913 1.00 0.00 H new ATOM 462 N ALA A 72 1.381 3.654 4.158 1.00 0.00 N ATOM 463 CA ALA A 72 0.786 2.332 4.323 1.00 0.00 C ATOM 464 C ALA A 72 1.820 1.330 4.819 1.00 0.00 C ATOM 465 O ALA A 72 1.583 0.605 5.786 1.00 0.00 O ATOM 466 CB ALA A 72 0.174 1.861 3.013 1.00 0.00 C ATOM 0 H ALA A 72 1.293 4.043 3.219 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.003 2.403 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.266 0.873 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.599 2.562 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.948 1.809 2.248 1.00 0.00 H new ATOM 472 N CYS A 73 2.971 1.299 4.156 1.00 0.00 N ATOM 473 CA CYS A 73 4.044 0.391 4.537 1.00 0.00 C ATOM 474 C CYS A 73 4.491 0.663 5.969 1.00 0.00 C ATOM 475 O CYS A 73 4.828 -0.259 6.711 1.00 0.00 O ATOM 476 CB CYS A 73 5.227 0.533 3.579 1.00 0.00 C ATOM 477 SG CYS A 73 5.203 -0.640 2.204 1.00 0.00 S ATOM 0 H CYS A 73 3.184 1.892 3.354 1.00 0.00 H new ATOM 0 HA CYS A 73 3.667 -0.630 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.238 1.547 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.153 0.402 4.139 1.00 0.00 H new ATOM 0 HG CYS A 73 4.555 -0.122 1.203 1.00 0.00 H new ATOM 483 N ARG A 74 4.485 1.937 6.352 1.00 0.00 N ATOM 484 CA ARG A 74 4.882 2.331 7.699 1.00 0.00 C ATOM 485 C ARG A 74 3.949 1.713 8.734 1.00 0.00 C ATOM 486 O ARG A 74 4.383 1.305 9.812 1.00 0.00 O ATOM 487 CB ARG A 74 4.875 3.855 7.832 1.00 0.00 C ATOM 488 CG ARG A 74 6.008 4.396 8.690 1.00 0.00 C ATOM 489 CD ARG A 74 5.512 4.837 10.058 1.00 0.00 C ATOM 490 NE ARG A 74 6.265 5.980 10.570 1.00 0.00 N ATOM 491 CZ ARG A 74 7.498 5.893 11.064 1.00 0.00 C ATOM 492 NH1 ARG A 74 8.119 4.721 11.115 1.00 0.00 N ATOM 493 NH2 ARG A 74 8.112 6.981 11.508 1.00 0.00 N ATOM 0 H ARG A 74 4.210 2.712 5.749 1.00 0.00 H new ATOM 0 HA ARG A 74 5.893 1.966 7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.939 4.298 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.924 4.170 8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.773 3.629 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.478 5.239 8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.456 5.098 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.593 4.006 10.759 1.00 0.00 H new ATOM 0 HE ARG A 74 5.820 6.898 10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.651 3.881 10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.064 4.661 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.640 7.884 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.057 6.915 11.887 1.00 0.00 H new ATOM 507 N ALA A 75 2.665 1.645 8.396 1.00 0.00 N ATOM 508 CA ALA A 75 1.667 1.073 9.291 1.00 0.00 C ATOM 509 C ALA A 75 1.672 -0.450 9.209 1.00 0.00 C ATOM 510 O ALA A 75 1.364 -1.135 10.184 1.00 0.00 O ATOM 511 CB ALA A 75 0.286 1.618 8.960 1.00 0.00 C ATOM 0 H ALA A 75 2.292 1.980 7.508 1.00 0.00 H new ATOM 0 HA ALA A 75 1.920 1.359 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.449 1.182 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.286 2.702 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.030 1.361 7.932 1.00 0.00 H new ATOM 517 N TYR A 76 2.027 -0.972 8.039 1.00 0.00 N ATOM 518 CA TYR A 76 2.076 -2.415 7.829 1.00 0.00 C ATOM 519 C TYR A 76 3.402 -2.995 8.317 1.00 0.00 C ATOM 520 O TYR A 76 3.497 -4.188 8.607 1.00 0.00 O ATOM 521 CB TYR A 76 1.885 -2.741 6.346 1.00 0.00 C ATOM 522 CG TYR A 76 0.441 -2.951 5.946 1.00 0.00 C ATOM 523 CD1 TYR A 76 -0.580 -2.209 6.528 1.00 0.00 C ATOM 524 CD2 TYR A 76 0.100 -3.892 4.982 1.00 0.00 C ATOM 525 CE1 TYR A 76 -1.898 -2.399 6.161 1.00 0.00 C ATOM 526 CE2 TYR A 76 -1.216 -4.087 4.610 1.00 0.00 C ATOM 527 CZ TYR A 76 -2.211 -3.339 5.202 1.00 0.00 C ATOM 528 OH TYR A 76 -3.523 -3.530 4.834 1.00 0.00 O ATOM 0 H TYR A 76 2.285 -0.418 7.222 1.00 0.00 H new ATOM 0 HA TYR A 76 1.268 -2.866 8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.303 -1.930 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.453 -3.640 6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.339 -1.472 7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.877 -4.480 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.680 -1.814 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.464 -4.822 3.859 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.834 -4.397 5.169 1.00 0.00 H new ATOM 538 N GLY A 77 4.423 -2.148 8.403 1.00 0.00 N ATOM 539 CA GLY A 77 5.727 -2.599 8.853 1.00 0.00 C ATOM 540 C GLY A 77 6.570 -3.159 7.723 1.00 0.00 C ATOM 541 O GLY A 77 7.510 -3.919 7.958 1.00 0.00 O ATOM 0 H GLY A 77 4.370 -1.157 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.255 -1.767 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.599 -3.363 9.620 1.00 0.00 H new ATOM 545 N LEU A 78 6.233 -2.784 6.493 1.00 0.00 N ATOM 546 CA LEU A 78 6.962 -3.253 5.320 1.00 0.00 C ATOM 547 C LEU A 78 8.232 -2.437 5.103 1.00 0.00 C ATOM 548 O LEU A 78 8.437 -1.406 5.744 1.00 0.00 O ATOM 549 CB LEU A 78 6.071 -3.172 4.078 1.00 0.00 C ATOM 550 CG LEU A 78 5.304 -4.452 3.741 1.00 0.00 C ATOM 551 CD1 LEU A 78 6.244 -5.504 3.173 1.00 0.00 C ATOM 552 CD2 LEU A 78 4.584 -4.986 4.972 1.00 0.00 C ATOM 0 H LEU A 78 5.458 -2.155 6.283 1.00 0.00 H new ATOM 0 HA LEU A 78 7.246 -4.291 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.353 -2.364 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.691 -2.903 3.223 1.00 0.00 H new ATOM 0 HG LEU A 78 4.557 -4.214 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.681 -6.407 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.711 -5.122 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.015 -5.737 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.044 -5.897 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.312 -5.206 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.879 -4.238 5.334 1.00 0.00 H new ATOM 564 N LYS A 79 9.079 -2.904 4.191 1.00 0.00 N ATOM 565 CA LYS A 79 10.328 -2.217 3.882 1.00 0.00 C ATOM 566 C LYS A 79 10.165 -1.336 2.649 1.00 0.00 C ATOM 567 O LYS A 79 10.708 -0.233 2.582 1.00 0.00 O ATOM 568 CB LYS A 79 11.451 -3.230 3.657 1.00 0.00 C ATOM 569 CG LYS A 79 12.801 -2.590 3.373 1.00 0.00 C ATOM 570 CD LYS A 79 13.126 -2.611 1.887 1.00 0.00 C ATOM 571 CE LYS A 79 14.084 -3.740 1.540 1.00 0.00 C ATOM 572 NZ LYS A 79 13.577 -4.571 0.413 1.00 0.00 N ATOM 0 H LYS A 79 8.923 -3.756 3.653 1.00 0.00 H new ATOM 0 HA LYS A 79 10.589 -1.584 4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.538 -3.865 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.183 -3.878 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.800 -1.561 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.579 -3.119 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.206 -2.725 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.566 -1.657 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.056 -3.323 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.235 -4.370 2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.258 -5.329 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.662 -4.990 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.457 -3.975 -0.431 1.00 0.00 H new ATOM 586 N SER A 80 9.407 -1.832 1.675 1.00 0.00 N ATOM 587 CA SER A 80 9.157 -1.099 0.437 1.00 0.00 C ATOM 588 C SER A 80 10.445 -0.510 -0.132 1.00 0.00 C ATOM 589 O SER A 80 11.544 -0.870 0.291 1.00 0.00 O ATOM 590 CB SER A 80 8.135 0.012 0.681 1.00 0.00 C ATOM 591 OG SER A 80 6.951 -0.216 -0.062 1.00 0.00 O ATOM 0 H SER A 80 8.953 -2.744 1.720 1.00 0.00 H new ATOM 0 HA SER A 80 8.758 -1.802 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.897 0.066 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.565 0.974 0.402 1.00 0.00 H new ATOM 0 HG SER A 80 6.283 -0.648 0.511 1.00 0.00 H new ATOM 597 N GLY A 81 10.302 0.396 -1.096 1.00 0.00 N ATOM 598 CA GLY A 81 11.465 1.015 -1.704 1.00 0.00 C ATOM 599 C GLY A 81 11.177 2.403 -2.240 1.00 0.00 C ATOM 600 O GLY A 81 10.815 3.305 -1.485 1.00 0.00 O ATOM 0 H GLY A 81 9.405 0.711 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.267 1.074 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.824 0.384 -2.517 1.00 0.00 H new ATOM 604 N LEU A 82 11.340 2.573 -3.548 1.00 0.00 N ATOM 605 CA LEU A 82 11.098 3.862 -4.188 1.00 0.00 C ATOM 606 C LEU A 82 10.855 3.687 -5.684 1.00 0.00 C ATOM 607 O LEU A 82 11.710 4.016 -6.507 1.00 0.00 O ATOM 608 CB LEU A 82 12.280 4.808 -3.954 1.00 0.00 C ATOM 609 CG LEU A 82 13.630 4.124 -3.722 1.00 0.00 C ATOM 610 CD1 LEU A 82 13.961 3.188 -4.875 1.00 0.00 C ATOM 611 CD2 LEU A 82 14.729 5.161 -3.543 1.00 0.00 C ATOM 0 H LEU A 82 11.639 1.835 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 82 10.205 4.299 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.370 5.470 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.056 5.436 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 82 13.563 3.532 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.924 2.711 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.188 2.424 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.009 3.757 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.682 4.657 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.795 5.780 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.499 5.790 -2.683 1.00 0.00 H new ATOM 623 N LYS A 83 9.686 3.158 -6.026 1.00 0.00 N ATOM 624 CA LYS A 83 9.327 2.926 -7.421 1.00 0.00 C ATOM 625 C LYS A 83 7.811 2.884 -7.615 1.00 0.00 C ATOM 626 O LYS A 83 7.326 2.486 -8.674 1.00 0.00 O ATOM 627 CB LYS A 83 9.928 1.608 -7.888 1.00 0.00 C ATOM 628 CG LYS A 83 10.329 1.602 -9.354 1.00 0.00 C ATOM 629 CD LYS A 83 11.482 0.647 -9.612 1.00 0.00 C ATOM 630 CE LYS A 83 12.819 1.281 -9.264 1.00 0.00 C ATOM 631 NZ LYS A 83 13.148 1.126 -7.820 1.00 0.00 N ATOM 0 H LYS A 83 8.969 2.881 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 83 9.722 3.754 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.805 1.384 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.207 0.809 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.473 1.315 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.614 2.609 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.344 -0.260 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.481 0.349 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.605 0.825 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.796 2.340 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.170 0.964 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.878 1.990 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.626 0.315 -7.430 1.00 0.00 H new ATOM 645 N LYS A 84 7.070 3.287 -6.588 1.00 0.00 N ATOM 646 CA LYS A 84 5.612 3.290 -6.639 1.00 0.00 C ATOM 647 C LYS A 84 5.069 1.865 -6.700 1.00 0.00 C ATOM 648 O LYS A 84 4.710 1.289 -5.674 1.00 0.00 O ATOM 649 CB LYS A 84 5.112 4.110 -7.835 1.00 0.00 C ATOM 650 CG LYS A 84 3.598 4.128 -7.971 1.00 0.00 C ATOM 651 CD LYS A 84 3.152 5.008 -9.128 1.00 0.00 C ATOM 652 CE LYS A 84 1.721 5.485 -8.944 1.00 0.00 C ATOM 653 NZ LYS A 84 1.161 6.060 -10.198 1.00 0.00 N ATOM 0 H LYS A 84 7.458 3.618 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 84 5.242 3.757 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.472 5.134 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.546 3.705 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.233 3.112 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.153 4.490 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.816 5.869 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.234 4.452 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.100 4.651 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.687 6.235 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.184 6.373 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.739 6.872 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.169 5.337 -10.945 1.00 0.00 H new ATOM 667 N GLN A 85 5.016 1.295 -7.904 1.00 0.00 N ATOM 668 CA GLN A 85 4.520 -0.067 -8.089 1.00 0.00 C ATOM 669 C GLN A 85 5.107 -1.011 -7.047 1.00 0.00 C ATOM 670 O GLN A 85 4.408 -1.871 -6.511 1.00 0.00 O ATOM 671 CB GLN A 85 4.857 -0.567 -9.491 1.00 0.00 C ATOM 672 CG GLN A 85 4.046 -1.781 -9.917 1.00 0.00 C ATOM 673 CD GLN A 85 4.182 -2.080 -11.397 1.00 0.00 C ATOM 674 OE1 GLN A 85 3.262 -1.839 -12.178 1.00 0.00 O ATOM 675 NE2 GLN A 85 5.335 -2.610 -11.790 1.00 0.00 N ATOM 0 H GLN A 85 5.311 1.756 -8.765 1.00 0.00 H new ATOM 0 HA GLN A 85 3.437 -0.050 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.690 0.240 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.917 -0.816 -9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.369 -2.649 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.996 -1.614 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.071 -2.793 -11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.484 -2.834 -12.774 1.00 0.00 H new ATOM 684 N GLU A 86 6.393 -0.842 -6.763 1.00 0.00 N ATOM 685 CA GLU A 86 7.072 -1.678 -5.780 1.00 0.00 C ATOM 686 C GLU A 86 6.382 -1.583 -4.426 1.00 0.00 C ATOM 687 O GLU A 86 6.107 -2.597 -3.787 1.00 0.00 O ATOM 688 CB GLU A 86 8.543 -1.278 -5.654 1.00 0.00 C ATOM 689 CG GLU A 86 9.457 -2.432 -5.278 1.00 0.00 C ATOM 690 CD GLU A 86 10.100 -3.084 -6.486 1.00 0.00 C ATOM 691 OE1 GLU A 86 10.677 -2.353 -7.318 1.00 0.00 O ATOM 692 OE2 GLU A 86 10.026 -4.325 -6.601 1.00 0.00 O ATOM 0 H GLU A 86 6.986 -0.135 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 86 7.023 -2.712 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.878 -0.854 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.634 -0.493 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.236 -2.070 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.885 -3.179 -4.728 1.00 0.00 H new ATOM 699 N LEU A 87 6.079 -0.362 -4.000 1.00 0.00 N ATOM 700 CA LEU A 87 5.391 -0.164 -2.734 1.00 0.00 C ATOM 701 C LEU A 87 4.022 -0.815 -2.813 1.00 0.00 C ATOM 702 O LEU A 87 3.609 -1.549 -1.915 1.00 0.00 O ATOM 703 CB LEU A 87 5.237 1.329 -2.424 1.00 0.00 C ATOM 704 CG LEU A 87 6.492 2.029 -1.894 1.00 0.00 C ATOM 705 CD1 LEU A 87 6.803 3.270 -2.716 1.00 0.00 C ATOM 706 CD2 LEU A 87 6.320 2.395 -0.426 1.00 0.00 C ATOM 0 H LEU A 87 6.297 0.496 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 87 5.978 -0.618 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.915 1.839 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.439 1.449 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 87 7.331 1.338 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.698 3.752 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.971 2.986 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.963 3.963 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.221 2.891 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.468 3.066 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.147 1.490 0.157 1.00 0.00 H new ATOM 718 N LEU A 88 3.333 -0.549 -3.917 1.00 0.00 N ATOM 719 CA LEU A 88 2.015 -1.111 -4.155 1.00 0.00 C ATOM 720 C LEU A 88 2.048 -2.629 -4.015 1.00 0.00 C ATOM 721 O LEU A 88 1.313 -3.199 -3.208 1.00 0.00 O ATOM 722 CB LEU A 88 1.508 -0.705 -5.542 1.00 0.00 C ATOM 723 CG LEU A 88 1.574 0.798 -5.834 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.332 1.077 -7.310 1.00 0.00 C ATOM 725 CD2 LEU A 88 0.573 1.555 -4.970 1.00 0.00 C ATOM 0 H LEU A 88 3.671 0.057 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 88 1.327 -0.716 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.091 -1.234 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.475 -1.037 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 88 2.576 1.148 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.384 2.151 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.092 0.572 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.346 0.709 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.634 2.621 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.435 1.198 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.802 1.389 -3.917 1.00 0.00 H new ATOM 737 N GLU A 89 2.912 -3.286 -4.791 1.00 0.00 N ATOM 738 CA GLU A 89 3.029 -4.737 -4.719 1.00 0.00 C ATOM 739 C GLU A 89 3.337 -5.174 -3.293 1.00 0.00 C ATOM 740 O GLU A 89 2.739 -6.119 -2.780 1.00 0.00 O ATOM 741 CB GLU A 89 4.103 -5.251 -5.680 1.00 0.00 C ATOM 742 CG GLU A 89 5.480 -4.664 -5.430 1.00 0.00 C ATOM 743 CD GLU A 89 6.541 -5.258 -6.336 1.00 0.00 C ATOM 744 OE1 GLU A 89 6.475 -5.022 -7.561 1.00 0.00 O ATOM 745 OE2 GLU A 89 7.437 -5.959 -5.821 1.00 0.00 O ATOM 0 H GLU A 89 3.532 -2.840 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 89 2.074 -5.169 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.161 -6.336 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.801 -5.024 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.443 -3.585 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.760 -4.833 -4.390 1.00 0.00 H new ATOM 752 N ALA A 90 4.267 -4.469 -2.648 1.00 0.00 N ATOM 753 CA ALA A 90 4.639 -4.779 -1.273 1.00 0.00 C ATOM 754 C ALA A 90 3.398 -4.838 -0.392 1.00 0.00 C ATOM 755 O ALA A 90 3.258 -5.726 0.448 1.00 0.00 O ATOM 756 CB ALA A 90 5.621 -3.745 -0.743 1.00 0.00 C ATOM 0 H ALA A 90 4.773 -3.683 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 90 5.124 -5.755 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.889 -3.991 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.518 -3.745 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.160 -2.758 -0.772 1.00 0.00 H new ATOM 762 N LEU A 91 2.494 -3.888 -0.606 1.00 0.00 N ATOM 763 CA LEU A 91 1.251 -3.827 0.152 1.00 0.00 C ATOM 764 C LEU A 91 0.386 -5.039 -0.140 1.00 0.00 C ATOM 765 O LEU A 91 0.097 -5.843 0.746 1.00 0.00 O ATOM 766 CB LEU A 91 0.473 -2.565 -0.210 1.00 0.00 C ATOM 767 CG LEU A 91 0.772 -1.346 0.663 1.00 0.00 C ATOM 768 CD1 LEU A 91 0.649 -0.065 -0.147 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.161 -1.311 1.864 1.00 0.00 C ATOM 0 H LEU A 91 2.600 -3.148 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 91 1.504 -3.812 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.687 -2.310 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.593 -2.784 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 91 1.797 -1.424 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.865 0.791 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.358 -0.089 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.364 0.022 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.065 -0.437 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.194 -1.256 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.024 -2.215 2.458 1.00 0.00 H new ATOM 781 N THR A 92 -0.025 -5.158 -1.396 1.00 0.00 N ATOM 782 CA THR A 92 -0.861 -6.266 -1.826 1.00 0.00 C ATOM 783 C THR A 92 -0.299 -7.589 -1.314 1.00 0.00 C ATOM 784 O THR A 92 -1.001 -8.360 -0.661 1.00 0.00 O ATOM 785 CB THR A 92 -0.955 -6.268 -3.350 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.646 -5.120 -3.808 1.00 0.00 O ATOM 787 CG2 THR A 92 -1.663 -7.479 -3.910 1.00 0.00 C ATOM 0 H THR A 92 0.210 -4.496 -2.136 1.00 0.00 H new ATOM 0 HA THR A 92 -1.861 -6.146 -1.410 1.00 0.00 H new ATOM 0 HB THR A 92 0.077 -6.280 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.695 -5.137 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.692 -7.413 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.128 -8.382 -3.616 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.681 -7.518 -3.521 1.00 0.00 H new ATOM 795 N LYS A 93 0.975 -7.835 -1.601 1.00 0.00 N ATOM 796 CA LYS A 93 1.641 -9.053 -1.152 1.00 0.00 C ATOM 797 C LYS A 93 1.395 -9.294 0.338 1.00 0.00 C ATOM 798 O LYS A 93 1.253 -10.435 0.777 1.00 0.00 O ATOM 799 CB LYS A 93 3.145 -8.970 -1.427 1.00 0.00 C ATOM 800 CG LYS A 93 3.715 -10.228 -2.065 1.00 0.00 C ATOM 801 CD LYS A 93 4.460 -9.914 -3.353 1.00 0.00 C ATOM 802 CE LYS A 93 5.672 -9.033 -3.097 1.00 0.00 C ATOM 803 NZ LYS A 93 6.947 -9.794 -3.214 1.00 0.00 N ATOM 0 H LYS A 93 1.568 -7.206 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 93 1.223 -9.891 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.341 -8.120 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.668 -8.778 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.390 -10.718 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.907 -10.929 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.778 -10.843 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.787 -9.415 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.676 -8.206 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.600 -8.597 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.749 -9.157 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.955 -10.568 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.029 -10.189 -4.173 1.00 0.00 H new ATOM 817 N HIS A 94 1.355 -8.208 1.110 1.00 0.00 N ATOM 818 CA HIS A 94 1.135 -8.300 2.551 1.00 0.00 C ATOM 819 C HIS A 94 -0.316 -8.651 2.881 1.00 0.00 C ATOM 820 O HIS A 94 -0.648 -8.917 4.037 1.00 0.00 O ATOM 821 CB HIS A 94 1.516 -6.983 3.228 1.00 0.00 C ATOM 822 CG HIS A 94 1.750 -7.113 4.701 1.00 0.00 C ATOM 823 ND1 HIS A 94 2.892 -7.672 5.235 1.00 0.00 N ATOM 824 CD2 HIS A 94 0.982 -6.752 5.757 1.00 0.00 C ATOM 825 CE1 HIS A 94 2.816 -7.650 6.554 1.00 0.00 C ATOM 826 NE2 HIS A 94 1.668 -7.096 6.895 1.00 0.00 N ATOM 0 H HIS A 94 1.472 -7.257 0.761 1.00 0.00 H new ATOM 0 HA HIS A 94 1.769 -9.102 2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.418 -6.590 2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.724 -6.254 3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.011 -6.281 5.712 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.566 -8.022 7.237 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.343 -6.947 7.850 1.00 0.00 H new ATOM 835 N PHE A 95 -1.178 -8.650 1.868 1.00 0.00 N ATOM 836 CA PHE A 95 -2.587 -8.968 2.068 1.00 0.00 C ATOM 837 C PHE A 95 -3.164 -9.669 0.841 1.00 0.00 C ATOM 838 O PHE A 95 -4.335 -9.493 0.507 1.00 0.00 O ATOM 839 CB PHE A 95 -3.380 -7.694 2.367 1.00 0.00 C ATOM 840 CG PHE A 95 -4.060 -7.716 3.706 1.00 0.00 C ATOM 841 CD1 PHE A 95 -4.785 -8.825 4.112 1.00 0.00 C ATOM 842 CD2 PHE A 95 -3.975 -6.626 4.557 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.412 -8.847 5.344 1.00 0.00 C ATOM 844 CE2 PHE A 95 -4.600 -6.642 5.790 1.00 0.00 C ATOM 845 CZ PHE A 95 -5.319 -7.754 6.184 1.00 0.00 C ATOM 0 H PHE A 95 -0.926 -8.433 0.904 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.667 -9.644 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.707 -6.837 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.130 -7.551 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.861 -9.682 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.414 -5.754 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.974 -9.717 5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.526 -5.786 6.445 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.808 -7.769 7.147 1.00 0.00 H new ATOM 855 N GLN A 96 -2.332 -10.463 0.174 1.00 0.00 N ATOM 856 CA GLN A 96 -2.760 -11.190 -1.015 1.00 0.00 C ATOM 857 C GLN A 96 -1.734 -12.250 -1.403 1.00 0.00 C ATOM 858 O GLN A 96 -0.620 -11.928 -1.818 1.00 0.00 O ATOM 859 CB GLN A 96 -2.976 -10.222 -2.180 1.00 0.00 C ATOM 860 CG GLN A 96 -4.175 -10.572 -3.047 1.00 0.00 C ATOM 861 CD GLN A 96 -3.795 -10.833 -4.492 1.00 0.00 C ATOM 862 OE1 GLN A 96 -4.223 -10.116 -5.397 1.00 0.00 O ATOM 863 NE2 GLN A 96 -2.989 -11.864 -4.715 1.00 0.00 N ATOM 0 H GLN A 96 -1.359 -10.619 0.437 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.702 -11.688 -0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.105 -9.214 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.080 -10.208 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.667 -11.455 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.898 -9.757 -3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.659 -12.431 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.700 -12.089 -5.667 1.00 0.00 H new