USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 493 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 Single : A 62 THR OG1 : rot 180:sc= 0.575 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0108 F(o=-0.59,f=-0.011) USER MOD Single : A 66 MET CE :methyl 138:sc= -0.778 (180deg=-2.48!) USER MOD Single : A 68 LYS NZ :NH3+ -137:sc= -3.19! (180deg=-5.97!) USER MOD Single : A 70 MET CE :methyl -158:sc= -0.829 (180deg=-1.69!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -156:sc= 1.11 USER MOD Single : A 95 SER OG : rot -29:sc= 0.403 USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= -0.0418 (180deg=-0.37) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 90:sc= 0.79 USER MOD Single : A 107 ASN : amide:sc= 0.747 K(o=0.75,f=-0.049) USER MOD Single : A 108 THR OG1 : rot -62:sc= 1.14 USER MOD Single : A 109 SER OG : rot 180:sc= -0.517 USER MOD Single : A 110 CYS SG : rot -47:sc= 0.174! USER MOD Single : A 118 CYS SG : rot -160:sc= 0.0237 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc=-0.00207 (180deg=-0.0906) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= -0.0636 X(o=-0.064,f=-0.42) USER MOD Single : A 133 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.153) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.220 -2.501 -5.292 1.00 0.00 N ATOM 79 CA THR A 62 -12.528 -3.396 -4.178 1.00 0.00 C ATOM 80 C THR A 62 -11.290 -3.597 -3.306 1.00 0.00 C ATOM 81 O THR A 62 -10.166 -3.579 -3.809 1.00 0.00 O ATOM 82 CB THR A 62 -13.000 -4.749 -4.719 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.869 -5.559 -5.010 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.817 -4.532 -5.994 1.00 0.00 C ATOM 0 HA THR A 62 -13.318 -2.950 -3.574 1.00 0.00 H new ATOM 0 HB THR A 62 -13.621 -5.245 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.168 -6.426 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.153 -5.495 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.683 -3.909 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.198 -4.038 -6.743 1.00 0.00 H new ATOM 92 N PRO A 63 -11.465 -3.786 -2.019 1.00 0.00 N ATOM 93 CA PRO A 63 -10.322 -3.989 -1.079 1.00 0.00 C ATOM 94 C PRO A 63 -9.480 -5.206 -1.459 1.00 0.00 C ATOM 95 O PRO A 63 -8.257 -5.198 -1.313 1.00 0.00 O ATOM 96 CB PRO A 63 -10.988 -4.179 0.294 1.00 0.00 C ATOM 97 CG PRO A 63 -12.421 -4.496 0.012 1.00 0.00 C ATOM 98 CD PRO A 63 -12.757 -3.835 -1.322 1.00 0.00 C ATOM 0 HA PRO A 63 -9.628 -3.148 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.512 -4.986 0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.899 -3.277 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.577 -5.574 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.065 -4.118 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.493 -4.413 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.175 -2.838 -1.181 1.00 0.00 H new ATOM 106 N GLU A 64 -10.143 -6.247 -1.951 1.00 0.00 N ATOM 107 CA GLU A 64 -9.446 -7.462 -2.352 1.00 0.00 C ATOM 108 C GLU A 64 -8.608 -7.208 -3.600 1.00 0.00 C ATOM 109 O GLU A 64 -7.490 -7.708 -3.723 1.00 0.00 O ATOM 110 CB GLU A 64 -10.456 -8.576 -2.632 1.00 0.00 C ATOM 111 CG GLU A 64 -9.711 -9.880 -2.924 1.00 0.00 C ATOM 112 CD GLU A 64 -10.697 -11.041 -2.991 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.697 -10.985 -2.294 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.439 -11.969 -3.739 1.00 0.00 O ATOM 0 H GLU A 64 -11.154 -6.274 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.787 -7.767 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.116 -8.706 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.085 -8.306 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.171 -9.796 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.969 -10.066 -2.147 1.00 0.00 H new ATOM 121 N GLN A 65 -9.156 -6.425 -4.525 1.00 0.00 N ATOM 122 CA GLN A 65 -8.452 -6.109 -5.762 1.00 0.00 C ATOM 123 C GLN A 65 -7.208 -5.275 -5.470 1.00 0.00 C ATOM 124 O GLN A 65 -6.089 -5.677 -5.793 1.00 0.00 O ATOM 125 CB GLN A 65 -9.375 -5.338 -6.707 1.00 0.00 C ATOM 126 CG GLN A 65 -8.627 -5.011 -8.000 1.00 0.00 C ATOM 127 CD GLN A 65 -9.596 -4.449 -9.035 1.00 0.00 C ATOM 128 OE1 GLN A 65 -10.757 -5.018 -9.205 1.00 0.00 O flip ATOM 129 NE2 GLN A 65 -9.287 -3.465 -9.707 1.00 0.00 N flip ATOM 0 H GLN A 65 -10.080 -6.000 -4.442 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.148 -7.043 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.263 -5.930 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.716 -4.419 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.836 -4.288 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.147 -5.909 -8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.379 -3.021 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.939 -3.094 -10.398 1.00 0.00 H new ATOM 138 N MET A 66 -7.412 -4.112 -4.858 1.00 0.00 N ATOM 139 CA MET A 66 -6.298 -3.231 -4.529 1.00 0.00 C ATOM 140 C MET A 66 -5.256 -3.976 -3.704 1.00 0.00 C ATOM 141 O MET A 66 -4.053 -3.793 -3.893 1.00 0.00 O ATOM 142 CB MET A 66 -6.800 -2.012 -3.749 1.00 0.00 C ATOM 143 CG MET A 66 -7.436 -2.463 -2.434 1.00 0.00 C ATOM 144 SD MET A 66 -8.088 -1.024 -1.546 1.00 0.00 S ATOM 145 CE MET A 66 -9.322 -0.521 -2.772 1.00 0.00 C ATOM 0 H MET A 66 -8.329 -3.761 -4.582 1.00 0.00 H new ATOM 0 HA MET A 66 -5.838 -2.896 -5.459 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.973 -1.331 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.528 -1.462 -4.345 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.238 -3.174 -2.632 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.698 -2.978 -1.819 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.244 -0.237 -2.265 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.945 0.329 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.521 -1.351 -3.450 1.00 0.00 H new ATOM 155 N ALA A 67 -5.723 -4.818 -2.788 1.00 0.00 N ATOM 156 CA ALA A 67 -4.820 -5.580 -1.939 1.00 0.00 C ATOM 157 C ALA A 67 -3.960 -6.510 -2.779 1.00 0.00 C ATOM 158 O ALA A 67 -2.732 -6.478 -2.700 1.00 0.00 O ATOM 159 CB ALA A 67 -5.622 -6.395 -0.924 1.00 0.00 C ATOM 0 H ALA A 67 -6.714 -4.988 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.170 -4.883 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.939 -6.963 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.215 -5.722 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.284 -7.082 -1.451 1.00 0.00 H new ATOM 165 N LYS A 68 -4.611 -7.334 -3.586 1.00 0.00 N ATOM 166 CA LYS A 68 -3.890 -8.261 -4.439 1.00 0.00 C ATOM 167 C LYS A 68 -2.804 -7.525 -5.211 1.00 0.00 C ATOM 168 O LYS A 68 -1.617 -7.758 -4.999 1.00 0.00 O ATOM 169 CB LYS A 68 -4.861 -8.930 -5.418 1.00 0.00 C ATOM 170 CG LYS A 68 -5.631 -10.040 -4.699 1.00 0.00 C ATOM 171 CD LYS A 68 -6.834 -10.460 -5.545 1.00 0.00 C ATOM 172 CE LYS A 68 -6.366 -10.847 -6.950 1.00 0.00 C ATOM 173 NZ LYS A 68 -6.157 -9.615 -7.761 1.00 0.00 N ATOM 0 H LYS A 68 -5.627 -7.379 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.425 -9.026 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.556 -8.192 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.313 -9.343 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.979 -10.896 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.965 -9.691 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.344 -11.301 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.553 -9.643 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.440 -11.418 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.107 -11.488 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.547 -9.757 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.638 -8.814 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.139 -9.413 -7.830 1.00 0.00 H new ATOM 187 N GLU A 69 -3.222 -6.629 -6.101 1.00 0.00 N ATOM 188 CA GLU A 69 -2.279 -5.855 -6.907 1.00 0.00 C ATOM 189 C GLU A 69 -1.101 -5.381 -6.061 1.00 0.00 C ATOM 190 O GLU A 69 0.057 -5.592 -6.423 1.00 0.00 O ATOM 191 CB GLU A 69 -2.989 -4.643 -7.514 1.00 0.00 C ATOM 192 CG GLU A 69 -4.026 -5.118 -8.534 1.00 0.00 C ATOM 193 CD GLU A 69 -3.328 -5.625 -9.790 1.00 0.00 C ATOM 194 OE1 GLU A 69 -3.026 -4.809 -10.647 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.105 -6.821 -9.879 1.00 0.00 O ATOM 0 H GLU A 69 -4.204 -6.421 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.901 -6.498 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.474 -4.062 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.264 -3.987 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.636 -5.911 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.700 -4.300 -8.788 1.00 0.00 H new ATOM 202 N MET A 70 -1.400 -4.739 -4.937 1.00 0.00 N ATOM 203 CA MET A 70 -0.349 -4.240 -4.057 1.00 0.00 C ATOM 204 C MET A 70 0.644 -5.352 -3.725 1.00 0.00 C ATOM 205 O MET A 70 1.852 -5.182 -3.884 1.00 0.00 O ATOM 206 CB MET A 70 -0.963 -3.683 -2.765 1.00 0.00 C ATOM 207 CG MET A 70 -1.447 -2.246 -2.996 1.00 0.00 C ATOM 208 SD MET A 70 -1.766 -1.447 -1.402 1.00 0.00 S ATOM 209 CE MET A 70 -3.276 -2.348 -0.967 1.00 0.00 C ATOM 0 H MET A 70 -2.350 -4.553 -4.616 1.00 0.00 H new ATOM 0 HA MET A 70 0.183 -3.440 -4.572 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.796 -4.310 -2.448 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.225 -3.703 -1.963 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.697 -1.684 -3.552 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.354 -2.250 -3.600 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.849 -1.770 -0.242 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.877 -2.505 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.012 -3.313 -0.534 1.00 0.00 H new ATOM 219 N SER A 71 0.131 -6.489 -3.265 1.00 0.00 N ATOM 220 CA SER A 71 0.996 -7.611 -2.921 1.00 0.00 C ATOM 221 C SER A 71 1.923 -7.944 -4.088 1.00 0.00 C ATOM 222 O SER A 71 3.141 -8.001 -3.927 1.00 0.00 O ATOM 223 CB SER A 71 0.156 -8.836 -2.557 1.00 0.00 C ATOM 224 OG SER A 71 0.970 -9.999 -2.621 1.00 0.00 O ATOM 0 H SER A 71 -0.865 -6.657 -3.123 1.00 0.00 H new ATOM 0 HA SER A 71 1.601 -7.329 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.258 -8.723 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.687 -8.930 -3.242 1.00 0.00 H new ATOM 0 HG SER A 71 0.435 -10.786 -2.387 1.00 0.00 H new ATOM 230 N GLU A 72 1.340 -8.155 -5.266 1.00 0.00 N ATOM 231 CA GLU A 72 2.119 -8.468 -6.449 1.00 0.00 C ATOM 232 C GLU A 72 3.255 -7.467 -6.612 1.00 0.00 C ATOM 233 O GLU A 72 4.409 -7.842 -6.821 1.00 0.00 O ATOM 234 CB GLU A 72 1.209 -8.426 -7.678 1.00 0.00 C ATOM 235 CG GLU A 72 -0.234 -8.684 -7.259 1.00 0.00 C ATOM 236 CD GLU A 72 -0.315 -9.922 -6.370 1.00 0.00 C ATOM 237 OE1 GLU A 72 0.569 -10.758 -6.471 1.00 0.00 O ATOM 238 OE2 GLU A 72 -1.259 -10.016 -5.604 1.00 0.00 O ATOM 0 H GLU A 72 0.333 -8.114 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 72 2.546 -9.465 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.288 -7.455 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.527 -9.175 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.625 -7.818 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.857 -8.821 -8.143 1.00 0.00 H new ATOM 245 N PHE A 73 2.913 -6.187 -6.515 1.00 0.00 N ATOM 246 CA PHE A 73 3.899 -5.124 -6.649 1.00 0.00 C ATOM 247 C PHE A 73 5.104 -5.395 -5.750 1.00 0.00 C ATOM 248 O PHE A 73 6.231 -5.517 -6.230 1.00 0.00 O ATOM 249 CB PHE A 73 3.255 -3.780 -6.282 1.00 0.00 C ATOM 250 CG PHE A 73 3.017 -2.964 -7.534 1.00 0.00 C ATOM 251 CD1 PHE A 73 2.211 -3.477 -8.558 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.599 -1.697 -7.670 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.988 -2.727 -9.718 1.00 0.00 C ATOM 254 CE2 PHE A 73 3.375 -0.945 -8.831 1.00 0.00 C ATOM 255 CZ PHE A 73 2.570 -1.461 -9.854 1.00 0.00 C ATOM 0 H PHE A 73 1.961 -5.862 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 73 4.245 -5.088 -7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.312 -3.949 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.902 -3.232 -5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.761 -4.453 -8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.220 -1.300 -6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.368 -3.124 -10.508 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.823 0.032 -8.937 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.398 -0.882 -10.749 1.00 0.00 H new ATOM 265 N LEU A 74 4.861 -5.489 -4.445 1.00 0.00 N ATOM 266 CA LEU A 74 5.943 -5.747 -3.500 1.00 0.00 C ATOM 267 C LEU A 74 6.750 -6.966 -3.935 1.00 0.00 C ATOM 268 O LEU A 74 7.965 -7.018 -3.742 1.00 0.00 O ATOM 269 CB LEU A 74 5.380 -5.982 -2.095 1.00 0.00 C ATOM 270 CG LEU A 74 4.402 -4.863 -1.728 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.010 -4.995 -0.254 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.063 -3.501 -1.958 1.00 0.00 C ATOM 0 H LEU A 74 3.938 -5.392 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 74 6.595 -4.874 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.874 -6.946 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.193 -6.018 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 74 3.513 -4.942 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.314 -4.199 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.535 -5.962 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.902 -4.918 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.363 -2.708 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.954 -3.419 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.343 -3.405 -3.007 1.00 0.00 H new ATOM 284 N SER A 75 6.067 -7.942 -4.522 1.00 0.00 N ATOM 285 CA SER A 75 6.734 -9.157 -4.980 1.00 0.00 C ATOM 286 C SER A 75 7.609 -8.860 -6.194 1.00 0.00 C ATOM 287 O SER A 75 8.705 -9.404 -6.327 1.00 0.00 O ATOM 288 CB SER A 75 5.695 -10.217 -5.343 1.00 0.00 C ATOM 289 OG SER A 75 6.323 -11.491 -5.396 1.00 0.00 O ATOM 0 H SER A 75 5.061 -7.918 -4.691 1.00 0.00 H new ATOM 0 HA SER A 75 7.365 -9.530 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.893 -10.224 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.240 -9.983 -6.305 1.00 0.00 H new ATOM 0 HG SER A 75 5.659 -12.174 -5.627 1.00 0.00 H new ATOM 295 N ARG A 76 7.116 -7.996 -7.075 1.00 0.00 N ATOM 296 CA ARG A 76 7.862 -7.635 -8.276 1.00 0.00 C ATOM 297 C ARG A 76 9.108 -6.834 -7.908 1.00 0.00 C ATOM 298 O ARG A 76 10.199 -7.098 -8.414 1.00 0.00 O ATOM 299 CB ARG A 76 6.977 -6.806 -9.212 1.00 0.00 C ATOM 300 CG ARG A 76 5.947 -7.716 -9.893 1.00 0.00 C ATOM 301 CD ARG A 76 6.532 -8.283 -11.190 1.00 0.00 C ATOM 302 NE ARG A 76 6.765 -7.210 -12.150 1.00 0.00 N ATOM 303 CZ ARG A 76 6.991 -7.474 -13.432 1.00 0.00 C ATOM 304 NH1 ARG A 76 7.007 -8.708 -13.853 1.00 0.00 N ATOM 305 NH2 ARG A 76 7.197 -6.495 -14.273 1.00 0.00 N ATOM 0 H ARG A 76 6.211 -7.536 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 76 8.167 -8.551 -8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.469 -6.024 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.591 -6.310 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.668 -8.529 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.038 -7.154 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.467 -8.801 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.849 -9.018 -11.615 1.00 0.00 H new ATOM 0 HE ARG A 76 6.754 -6.241 -11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.846 -9.473 -13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.181 -8.909 -14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.184 -5.529 -13.945 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.371 -6.697 -15.258 1.00 0.00 H new ATOM 526 N TYR A 92 9.919 8.521 5.519 1.00 0.00 N ATOM 527 CA TYR A 92 8.906 9.105 4.642 1.00 0.00 C ATOM 528 C TYR A 92 7.509 8.706 5.110 1.00 0.00 C ATOM 529 O TYR A 92 7.121 7.542 5.013 1.00 0.00 O ATOM 530 CB TYR A 92 9.124 8.620 3.202 1.00 0.00 C ATOM 531 CG TYR A 92 10.024 9.586 2.465 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.509 10.802 1.999 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.368 9.266 2.247 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.341 11.697 1.314 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.200 10.159 1.563 1.00 0.00 C ATOM 536 CZ TYR A 92 11.686 11.376 1.096 1.00 0.00 C ATOM 537 OH TYR A 92 12.505 12.258 0.421 1.00 0.00 O ATOM 0 HA TYR A 92 8.995 10.191 4.677 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.570 7.626 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.166 8.537 2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.471 11.050 2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.764 8.328 2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.945 12.635 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.238 9.911 1.395 1.00 0.00 H new ATOM 0 HH TYR A 92 13.259 11.770 0.028 1.00 0.00 H new ATOM 547 N ASP A 93 6.756 9.681 5.613 1.00 0.00 N ATOM 548 CA ASP A 93 5.402 9.419 6.090 1.00 0.00 C ATOM 549 C ASP A 93 4.383 9.766 5.010 1.00 0.00 C ATOM 550 O ASP A 93 3.973 10.919 4.876 1.00 0.00 O ATOM 551 CB ASP A 93 5.121 10.249 7.343 1.00 0.00 C ATOM 552 CG ASP A 93 6.120 9.893 8.440 1.00 0.00 C ATOM 553 OD1 ASP A 93 7.285 10.213 8.278 1.00 0.00 O ATOM 554 OD2 ASP A 93 5.703 9.306 9.425 1.00 0.00 O ATOM 0 H ASP A 93 7.057 10.652 5.700 1.00 0.00 H new ATOM 0 HA ASP A 93 5.317 8.359 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.189 11.311 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.105 10.064 7.691 1.00 0.00 H new ATOM 559 N LEU A 94 3.972 8.759 4.244 1.00 0.00 N ATOM 560 CA LEU A 94 2.996 8.967 3.177 1.00 0.00 C ATOM 561 C LEU A 94 1.603 8.548 3.640 1.00 0.00 C ATOM 562 O LEU A 94 0.719 8.293 2.823 1.00 0.00 O ATOM 563 CB LEU A 94 3.386 8.157 1.938 1.00 0.00 C ATOM 564 CG LEU A 94 4.902 8.223 1.727 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.280 7.420 0.477 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.329 9.681 1.543 1.00 0.00 C ATOM 0 H LEU A 94 4.297 7.797 4.341 1.00 0.00 H new ATOM 0 HA LEU A 94 2.984 10.028 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.072 7.120 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.871 8.548 1.061 1.00 0.00 H new ATOM 0 HG LEU A 94 5.408 7.803 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.359 7.467 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.976 6.381 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.774 7.840 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.408 9.728 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.823 10.101 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.061 10.253 2.431 1.00 0.00 H new ATOM 578 N SER A 95 1.419 8.473 4.953 1.00 0.00 N ATOM 579 CA SER A 95 0.131 8.079 5.514 1.00 0.00 C ATOM 580 C SER A 95 -0.953 9.082 5.132 1.00 0.00 C ATOM 581 O SER A 95 -2.126 8.894 5.456 1.00 0.00 O ATOM 582 CB SER A 95 0.230 7.987 7.037 1.00 0.00 C ATOM 583 OG SER A 95 -0.997 7.496 7.558 1.00 0.00 O ATOM 0 H SER A 95 2.139 8.678 5.645 1.00 0.00 H new ATOM 0 HA SER A 95 -0.135 7.103 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.049 7.326 7.320 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.451 8.968 7.459 1.00 0.00 H new ATOM 0 HG SER A 95 -1.732 7.754 6.963 1.00 0.00 H new ATOM 589 N LYS A 96 -0.553 10.149 4.445 1.00 0.00 N ATOM 590 CA LYS A 96 -1.499 11.180 4.024 1.00 0.00 C ATOM 591 C LYS A 96 -1.762 11.089 2.524 1.00 0.00 C ATOM 592 O LYS A 96 -2.536 11.873 1.974 1.00 0.00 O ATOM 593 CB LYS A 96 -0.944 12.564 4.363 1.00 0.00 C ATOM 594 CG LYS A 96 -0.424 12.569 5.801 1.00 0.00 C ATOM 595 CD LYS A 96 -0.174 14.012 6.249 1.00 0.00 C ATOM 596 CE LYS A 96 0.667 14.012 7.526 1.00 0.00 C ATOM 597 NZ LYS A 96 2.067 13.621 7.201 1.00 0.00 N ATOM 0 H LYS A 96 0.414 10.322 4.169 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.438 11.023 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.140 12.824 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.722 13.318 4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.147 12.092 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.498 11.991 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.340 14.564 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.123 14.519 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.652 15.001 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.244 13.318 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.708 13.982 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.137 12.584 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.335 14.024 6.280 1.00 0.00 H new ATOM 611 N TRP A 97 -1.114 10.132 1.869 1.00 0.00 N ATOM 612 CA TRP A 97 -1.286 9.951 0.430 1.00 0.00 C ATOM 613 C TRP A 97 -2.465 9.028 0.141 1.00 0.00 C ATOM 614 O TRP A 97 -3.094 8.503 1.060 1.00 0.00 O ATOM 615 CB TRP A 97 -0.016 9.353 -0.178 1.00 0.00 C ATOM 616 CG TRP A 97 1.068 10.383 -0.196 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.503 11.074 0.883 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.863 10.844 -1.326 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.515 11.930 0.486 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.773 11.825 -0.867 1.00 0.00 C ATOM 621 CE3 TRP A 97 1.883 10.509 -2.693 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.671 12.452 -1.731 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.785 11.138 -3.565 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.678 12.107 -3.086 1.00 0.00 C ATOM 0 H TRP A 97 -0.469 9.474 2.306 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.482 10.926 -0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.302 8.486 0.401 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.216 9.004 -1.191 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.123 10.974 1.889 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.010 12.562 1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.200 9.764 -3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.356 13.198 -1.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.791 10.874 -4.612 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.370 12.586 -3.763 1.00 0.00 H new ATOM 635 N LYS A 98 -2.755 8.835 -1.144 1.00 0.00 N ATOM 636 CA LYS A 98 -3.859 7.970 -1.555 1.00 0.00 C ATOM 637 C LYS A 98 -3.327 6.763 -2.322 1.00 0.00 C ATOM 638 O LYS A 98 -2.215 6.792 -2.849 1.00 0.00 O ATOM 639 CB LYS A 98 -4.834 8.750 -2.442 1.00 0.00 C ATOM 640 CG LYS A 98 -5.102 10.125 -1.828 1.00 0.00 C ATOM 641 CD LYS A 98 -5.743 9.957 -0.448 1.00 0.00 C ATOM 642 CE LYS A 98 -6.382 11.278 -0.016 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.018 11.109 1.321 1.00 0.00 N ATOM 0 H LYS A 98 -2.244 9.264 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.380 7.624 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.419 8.863 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.768 8.198 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.170 10.683 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.760 10.702 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.496 9.170 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.991 9.650 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.627 12.063 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.127 11.590 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.452 12.007 1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.750 10.372 1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.296 10.830 2.016 1.00 0.00 H new ATOM 657 N TYR A 99 -4.126 5.703 -2.377 1.00 0.00 N ATOM 658 CA TYR A 99 -3.723 4.491 -3.079 1.00 0.00 C ATOM 659 C TYR A 99 -3.332 4.806 -4.522 1.00 0.00 C ATOM 660 O TYR A 99 -2.326 4.306 -5.026 1.00 0.00 O ATOM 661 CB TYR A 99 -4.873 3.478 -3.063 1.00 0.00 C ATOM 662 CG TYR A 99 -4.550 2.311 -3.972 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.387 1.560 -3.762 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.416 1.981 -5.022 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.091 0.480 -4.603 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.119 0.900 -5.863 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.956 0.150 -5.653 1.00 0.00 C ATOM 668 OH TYR A 99 -3.662 -0.913 -6.480 1.00 0.00 O ATOM 0 H TYR A 99 -5.050 5.658 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.857 4.068 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.040 3.122 -2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.796 3.958 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.719 1.813 -2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.313 2.560 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.194 -0.099 -4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.787 0.646 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.366 -1.006 -7.156 1.00 0.00 H new ATOM 678 N ALA A 100 -4.135 5.637 -5.179 1.00 0.00 N ATOM 679 CA ALA A 100 -3.869 6.011 -6.564 1.00 0.00 C ATOM 680 C ALA A 100 -2.611 6.871 -6.664 1.00 0.00 C ATOM 681 O ALA A 100 -1.827 6.736 -7.605 1.00 0.00 O ATOM 682 CB ALA A 100 -5.061 6.784 -7.131 1.00 0.00 C ATOM 0 H ALA A 100 -4.971 6.062 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.714 5.099 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.857 7.061 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.952 6.158 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.225 7.685 -6.540 1.00 0.00 H new ATOM 688 N GLU A 101 -2.430 7.757 -5.693 1.00 0.00 N ATOM 689 CA GLU A 101 -1.268 8.640 -5.683 1.00 0.00 C ATOM 690 C GLU A 101 0.014 7.843 -5.479 1.00 0.00 C ATOM 691 O GLU A 101 1.006 8.057 -6.173 1.00 0.00 O ATOM 692 CB GLU A 101 -1.411 9.674 -4.563 1.00 0.00 C ATOM 693 CG GLU A 101 -2.657 10.531 -4.810 1.00 0.00 C ATOM 694 CD GLU A 101 -2.323 11.690 -5.745 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.418 11.535 -6.548 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.976 12.714 -5.644 1.00 0.00 O ATOM 0 H GLU A 101 -3.067 7.884 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.214 9.148 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.488 9.172 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.524 10.307 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.447 9.919 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.036 10.916 -3.863 1.00 0.00 H new ATOM 703 N LEU A 102 -0.011 6.928 -4.516 1.00 0.00 N ATOM 704 CA LEU A 102 1.158 6.108 -4.224 1.00 0.00 C ATOM 705 C LEU A 102 1.525 5.240 -5.424 1.00 0.00 C ATOM 706 O LEU A 102 2.606 5.386 -5.996 1.00 0.00 O ATOM 707 CB LEU A 102 0.877 5.219 -3.010 1.00 0.00 C ATOM 708 CG LEU A 102 0.708 6.089 -1.760 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.288 5.208 -0.581 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.031 6.792 -1.426 1.00 0.00 C ATOM 0 H LEU A 102 -0.822 6.737 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 102 1.997 6.769 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.024 4.630 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.696 4.514 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.058 6.841 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.167 5.825 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.657 4.716 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.054 4.454 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.901 7.408 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.803 6.045 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.329 7.423 -2.263 1.00 0.00 H new ATOM 722 N ARG A 103 0.625 4.336 -5.799 1.00 0.00 N ATOM 723 CA ARG A 103 0.881 3.454 -6.933 1.00 0.00 C ATOM 724 C ARG A 103 1.323 4.265 -8.149 1.00 0.00 C ATOM 725 O ARG A 103 2.207 3.851 -8.903 1.00 0.00 O ATOM 726 CB ARG A 103 -0.375 2.649 -7.269 1.00 0.00 C ATOM 727 CG ARG A 103 -1.440 3.578 -7.855 1.00 0.00 C ATOM 728 CD ARG A 103 -2.774 2.834 -7.949 1.00 0.00 C ATOM 729 NE ARG A 103 -3.651 3.490 -8.912 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.709 2.863 -9.416 1.00 0.00 C ATOM 731 NH1 ARG A 103 -4.978 1.640 -9.051 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.478 3.471 -10.277 1.00 0.00 N ATOM 0 H ARG A 103 -0.276 4.196 -5.342 1.00 0.00 H new ATOM 0 HA ARG A 103 1.681 2.765 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.134 1.861 -7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.757 2.161 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.549 4.463 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.133 3.922 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.602 1.800 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.253 2.806 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.449 4.446 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.376 1.164 -8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.790 1.159 -9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.267 4.427 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.290 2.990 -10.664 1.00 0.00 H new ATOM 746 N ASP A 104 0.703 5.425 -8.334 1.00 0.00 N ATOM 747 CA ASP A 104 1.045 6.286 -9.458 1.00 0.00 C ATOM 748 C ASP A 104 2.478 6.786 -9.326 1.00 0.00 C ATOM 749 O ASP A 104 3.294 6.612 -10.230 1.00 0.00 O ATOM 750 CB ASP A 104 0.088 7.476 -9.513 1.00 0.00 C ATOM 751 CG ASP A 104 0.529 8.451 -10.600 1.00 0.00 C ATOM 752 OD1 ASP A 104 1.451 9.208 -10.350 1.00 0.00 O ATOM 753 OD2 ASP A 104 -0.062 8.425 -11.667 1.00 0.00 O ATOM 0 H ASP A 104 -0.032 5.788 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 104 0.956 5.709 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.926 7.129 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.067 7.981 -8.547 1.00 0.00 H new ATOM 758 N THR A 105 2.775 7.411 -8.191 1.00 0.00 N ATOM 759 CA THR A 105 4.111 7.938 -7.946 1.00 0.00 C ATOM 760 C THR A 105 5.175 6.918 -8.336 1.00 0.00 C ATOM 761 O THR A 105 6.041 7.200 -9.166 1.00 0.00 O ATOM 762 CB THR A 105 4.268 8.304 -6.468 1.00 0.00 C ATOM 763 OG1 THR A 105 3.126 9.032 -6.039 1.00 0.00 O ATOM 764 CG2 THR A 105 5.520 9.162 -6.285 1.00 0.00 C ATOM 0 H THR A 105 2.112 7.564 -7.431 1.00 0.00 H new ATOM 0 HA THR A 105 4.243 8.831 -8.557 1.00 0.00 H new ATOM 0 HB THR A 105 4.363 7.394 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.446 8.409 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.632 9.423 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.396 8.603 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.427 10.073 -6.876 1.00 0.00 H new ATOM 772 N ILE A 106 5.115 5.734 -7.733 1.00 0.00 N ATOM 773 CA ILE A 106 6.091 4.694 -8.033 1.00 0.00 C ATOM 774 C ILE A 106 6.057 4.330 -9.512 1.00 0.00 C ATOM 775 O ILE A 106 7.085 3.994 -10.101 1.00 0.00 O ATOM 776 CB ILE A 106 5.815 3.448 -7.190 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.409 2.930 -7.476 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.927 3.804 -5.708 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.153 1.685 -6.629 1.00 0.00 C ATOM 0 H ILE A 106 4.410 5.474 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 106 7.081 5.080 -7.790 1.00 0.00 H new ATOM 0 HB ILE A 106 6.543 2.677 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.671 3.699 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.304 2.693 -8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.731 2.917 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.931 4.171 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.199 4.578 -5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.149 1.309 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.885 0.917 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.242 1.939 -5.573 1.00 0.00 H new ATOM 791 N ASN A 107 4.873 4.396 -10.110 1.00 0.00 N ATOM 792 CA ASN A 107 4.730 4.068 -11.522 1.00 0.00 C ATOM 793 C ASN A 107 5.424 5.111 -12.397 1.00 0.00 C ATOM 794 O ASN A 107 5.806 4.823 -13.530 1.00 0.00 O ATOM 795 CB ASN A 107 3.243 3.991 -11.881 1.00 0.00 C ATOM 796 CG ASN A 107 2.774 2.538 -11.900 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.227 1.750 -12.731 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.890 2.135 -11.029 1.00 0.00 N ATOM 0 H ASN A 107 4.008 4.670 -9.645 1.00 0.00 H new ATOM 0 HA ASN A 107 5.201 3.102 -11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.658 4.559 -11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.074 4.447 -12.856 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.573 1.166 -11.035 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.516 2.789 -10.342 1.00 0.00 H new ATOM 805 N THR A 108 5.580 6.325 -11.869 1.00 0.00 N ATOM 806 CA THR A 108 6.227 7.398 -12.625 1.00 0.00 C ATOM 807 C THR A 108 7.261 8.126 -11.769 1.00 0.00 C ATOM 808 O THR A 108 7.371 9.350 -11.823 1.00 0.00 O ATOM 809 CB THR A 108 5.177 8.400 -13.117 1.00 0.00 C ATOM 810 OG1 THR A 108 5.834 9.530 -13.676 1.00 0.00 O ATOM 811 CG2 THR A 108 4.293 8.849 -11.950 1.00 0.00 C ATOM 0 H THR A 108 5.272 6.588 -10.933 1.00 0.00 H new ATOM 0 HA THR A 108 6.735 6.949 -13.479 1.00 0.00 H new ATOM 0 HB THR A 108 4.552 7.924 -13.873 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.369 9.973 -12.984 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.550 9.561 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.788 7.983 -11.522 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.911 9.323 -11.187 1.00 0.00 H new ATOM 819 N SER A 109 8.021 7.365 -10.986 1.00 0.00 N ATOM 820 CA SER A 109 9.051 7.950 -10.126 1.00 0.00 C ATOM 821 C SER A 109 10.388 7.241 -10.332 1.00 0.00 C ATOM 822 O SER A 109 10.463 6.229 -11.029 1.00 0.00 O ATOM 823 CB SER A 109 8.638 7.841 -8.660 1.00 0.00 C ATOM 824 OG SER A 109 9.749 8.165 -7.833 1.00 0.00 O ATOM 0 H SER A 109 7.946 6.349 -10.928 1.00 0.00 H new ATOM 0 HA SER A 109 9.162 9.001 -10.393 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.807 8.516 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.290 6.831 -8.442 1.00 0.00 H new ATOM 0 HG SER A 109 9.486 8.098 -6.891 1.00 0.00 H new ATOM 830 N CYS A 110 11.440 7.782 -9.723 1.00 0.00 N ATOM 831 CA CYS A 110 12.772 7.194 -9.848 1.00 0.00 C ATOM 832 C CYS A 110 13.588 7.437 -8.581 1.00 0.00 C ATOM 833 O CYS A 110 14.818 7.447 -8.619 1.00 0.00 O ATOM 834 CB CYS A 110 13.498 7.799 -11.050 1.00 0.00 C ATOM 835 SG CYS A 110 15.072 6.940 -11.297 1.00 0.00 S ATOM 0 H CYS A 110 11.398 8.620 -9.142 1.00 0.00 H new ATOM 0 HA CYS A 110 12.662 6.119 -9.993 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.880 7.712 -11.944 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.673 8.862 -10.886 1.00 0.00 H new ATOM 0 HG CYS A 110 15.688 6.826 -10.158 1.00 0.00 H new ATOM 841 N ASP A 111 12.897 7.628 -7.461 1.00 0.00 N ATOM 842 CA ASP A 111 13.567 7.865 -6.184 1.00 0.00 C ATOM 843 C ASP A 111 13.553 6.591 -5.345 1.00 0.00 C ATOM 844 O ASP A 111 12.494 6.054 -5.031 1.00 0.00 O ATOM 845 CB ASP A 111 12.863 9.001 -5.431 1.00 0.00 C ATOM 846 CG ASP A 111 13.550 10.332 -5.721 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.216 10.943 -6.723 1.00 0.00 O ATOM 848 OD2 ASP A 111 14.401 10.722 -4.938 1.00 0.00 O ATOM 0 H ASP A 111 11.878 7.624 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 111 14.602 8.152 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.816 9.051 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.879 8.801 -4.360 1.00 0.00 H new ATOM 853 N ILE A 112 14.737 6.107 -4.994 1.00 0.00 N ATOM 854 CA ILE A 112 14.849 4.888 -4.203 1.00 0.00 C ATOM 855 C ILE A 112 14.088 5.014 -2.886 1.00 0.00 C ATOM 856 O ILE A 112 13.126 4.286 -2.643 1.00 0.00 O ATOM 857 CB ILE A 112 16.323 4.590 -3.917 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.102 4.520 -5.242 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.441 3.261 -3.166 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.020 3.107 -5.831 1.00 0.00 C ATOM 0 H ILE A 112 15.628 6.536 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 112 14.411 4.070 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 112 16.743 5.385 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.694 5.241 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.144 4.792 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.491 3.050 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.895 3.325 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.021 2.460 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.575 3.071 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.449 2.394 -5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.977 2.850 -6.017 1.00 0.00 H new ATOM 872 N GLU A 113 14.527 5.937 -2.038 1.00 0.00 N ATOM 873 CA GLU A 113 13.881 6.139 -0.746 1.00 0.00 C ATOM 874 C GLU A 113 12.367 6.257 -0.906 1.00 0.00 C ATOM 875 O GLU A 113 11.606 5.598 -0.197 1.00 0.00 O ATOM 876 CB GLU A 113 14.430 7.400 -0.070 1.00 0.00 C ATOM 877 CG GLU A 113 14.574 8.524 -1.099 1.00 0.00 C ATOM 878 CD GLU A 113 15.155 9.767 -0.435 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.101 9.622 0.322 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.646 10.845 -0.693 1.00 0.00 O ATOM 0 H GLU A 113 15.320 6.552 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 113 14.098 5.273 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.762 7.713 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.397 7.187 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.221 8.201 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.602 8.755 -1.536 1.00 0.00 H new ATOM 887 N LEU A 114 11.937 7.098 -1.840 1.00 0.00 N ATOM 888 CA LEU A 114 10.513 7.295 -2.083 1.00 0.00 C ATOM 889 C LEU A 114 9.851 5.962 -2.427 1.00 0.00 C ATOM 890 O LEU A 114 8.933 5.514 -1.738 1.00 0.00 O ATOM 891 CB LEU A 114 10.328 8.297 -3.234 1.00 0.00 C ATOM 892 CG LEU A 114 8.844 8.658 -3.437 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.077 7.463 -4.018 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.210 9.078 -2.104 1.00 0.00 C ATOM 0 H LEU A 114 12.550 7.651 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 114 10.042 7.692 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.898 9.202 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.729 7.873 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 114 8.787 9.491 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.030 7.734 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.509 7.186 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.146 6.618 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.162 9.330 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.281 8.256 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.736 9.947 -1.709 1.00 0.00 H new ATOM 906 N LEU A 115 10.328 5.333 -3.495 1.00 0.00 N ATOM 907 CA LEU A 115 9.786 4.051 -3.928 1.00 0.00 C ATOM 908 C LEU A 115 9.606 3.123 -2.729 1.00 0.00 C ATOM 909 O LEU A 115 8.553 2.509 -2.557 1.00 0.00 O ATOM 910 CB LEU A 115 10.741 3.399 -4.946 1.00 0.00 C ATOM 911 CG LEU A 115 10.328 3.722 -6.392 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.184 2.800 -6.824 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.882 5.188 -6.515 1.00 0.00 C ATOM 0 H LEU A 115 11.087 5.689 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 115 8.816 4.219 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.758 3.750 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.747 2.319 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 115 11.190 3.563 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.896 3.033 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.512 1.762 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.329 2.947 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.594 5.395 -7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.031 5.366 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.704 5.844 -6.229 1.00 0.00 H new ATOM 925 N ALA A 116 10.644 3.026 -1.905 1.00 0.00 N ATOM 926 CA ALA A 116 10.593 2.171 -0.725 1.00 0.00 C ATOM 927 C ALA A 116 9.448 2.586 0.189 1.00 0.00 C ATOM 928 O ALA A 116 8.659 1.752 0.632 1.00 0.00 O ATOM 929 CB ALA A 116 11.914 2.260 0.039 1.00 0.00 C ATOM 0 H ALA A 116 11.525 3.525 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 116 10.428 1.144 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.869 1.619 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.730 1.934 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.086 3.291 0.349 1.00 0.00 H new ATOM 935 N ALA A 117 9.364 3.881 0.469 1.00 0.00 N ATOM 936 CA ALA A 117 8.313 4.399 1.333 1.00 0.00 C ATOM 937 C ALA A 117 6.953 3.854 0.910 1.00 0.00 C ATOM 938 O ALA A 117 6.263 3.203 1.693 1.00 0.00 O ATOM 939 CB ALA A 117 8.297 5.926 1.265 1.00 0.00 C ATOM 0 H ALA A 117 10.008 4.587 0.112 1.00 0.00 H new ATOM 0 HA ALA A 117 8.514 4.080 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.509 6.311 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.260 6.315 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.110 6.243 0.239 1.00 0.00 H new ATOM 945 N CYS A 118 6.575 4.127 -0.333 1.00 0.00 N ATOM 946 CA CYS A 118 5.292 3.659 -0.850 1.00 0.00 C ATOM 947 C CYS A 118 5.129 2.159 -0.621 1.00 0.00 C ATOM 948 O CYS A 118 4.195 1.719 0.050 1.00 0.00 O ATOM 949 CB CYS A 118 5.191 3.955 -2.346 1.00 0.00 C ATOM 950 SG CYS A 118 5.364 5.735 -2.622 1.00 0.00 S ATOM 0 H CYS A 118 7.132 4.665 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 118 4.500 4.185 -0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 118 5.968 3.415 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.233 3.608 -2.732 1.00 0.00 H new ATOM 0 HG CYS A 118 4.873 6.043 -3.786 1.00 0.00 H new ATOM 956 N ARG A 119 6.043 1.377 -1.186 1.00 0.00 N ATOM 957 CA ARG A 119 5.991 -0.072 -1.040 1.00 0.00 C ATOM 958 C ARG A 119 5.763 -0.461 0.419 1.00 0.00 C ATOM 959 O ARG A 119 4.928 -1.315 0.724 1.00 0.00 O ATOM 960 CB ARG A 119 7.300 -0.691 -1.539 1.00 0.00 C ATOM 961 CG ARG A 119 7.276 -0.789 -3.067 1.00 0.00 C ATOM 962 CD ARG A 119 8.688 -1.065 -3.584 1.00 0.00 C ATOM 963 NE ARG A 119 8.678 -1.196 -5.036 1.00 0.00 N ATOM 964 CZ ARG A 119 9.793 -1.058 -5.745 1.00 0.00 C ATOM 965 NH1 ARG A 119 10.922 -0.799 -5.146 1.00 0.00 N ATOM 966 NH2 ARG A 119 9.759 -1.181 -7.045 1.00 0.00 N ATOM 0 H ARG A 119 6.824 1.720 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 119 5.159 -0.449 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.146 -0.084 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.434 -1.681 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.601 -1.585 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.896 0.138 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.355 -0.255 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.076 -1.978 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 119 7.800 -1.397 -5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.950 -0.702 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.777 -0.693 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.877 -1.383 -7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.615 -1.075 -7.590 1.00 0.00 H new ATOM 980 N GLU A 120 6.512 0.168 1.315 1.00 0.00 N ATOM 981 CA GLU A 120 6.390 -0.120 2.739 1.00 0.00 C ATOM 982 C GLU A 120 4.974 0.160 3.231 1.00 0.00 C ATOM 983 O GLU A 120 4.413 -0.617 4.003 1.00 0.00 O ATOM 984 CB GLU A 120 7.385 0.729 3.532 1.00 0.00 C ATOM 985 CG GLU A 120 8.807 0.227 3.275 1.00 0.00 C ATOM 986 CD GLU A 120 9.055 -1.058 4.057 1.00 0.00 C ATOM 987 OE1 GLU A 120 9.307 -0.966 5.247 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.988 -2.118 3.455 1.00 0.00 O ATOM 0 H GLU A 120 7.207 0.878 1.083 1.00 0.00 H new ATOM 0 HA GLU A 120 6.609 -1.177 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.300 1.776 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.157 0.676 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.951 0.048 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.529 0.988 3.571 1.00 0.00 H new ATOM 995 N GLU A 121 4.401 1.274 2.786 1.00 0.00 N ATOM 996 CA GLU A 121 3.053 1.637 3.199 1.00 0.00 C ATOM 997 C GLU A 121 2.056 0.556 2.787 1.00 0.00 C ATOM 998 O GLU A 121 1.152 0.217 3.551 1.00 0.00 O ATOM 999 CB GLU A 121 2.656 2.983 2.579 1.00 0.00 C ATOM 1000 CG GLU A 121 3.149 4.127 3.470 1.00 0.00 C ATOM 1001 CD GLU A 121 4.669 4.100 3.562 1.00 0.00 C ATOM 1002 OE1 GLU A 121 5.192 3.158 4.136 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.291 5.021 3.056 1.00 0.00 O ATOM 0 H GLU A 121 4.844 1.933 2.147 1.00 0.00 H new ATOM 0 HA GLU A 121 3.037 1.728 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.085 3.075 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.573 3.037 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.818 5.083 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.715 4.036 4.466 1.00 0.00 H new ATOM 1010 N PHE A 122 2.227 0.007 1.586 1.00 0.00 N ATOM 1011 CA PHE A 122 1.331 -1.044 1.116 1.00 0.00 C ATOM 1012 C PHE A 122 1.467 -2.279 1.999 1.00 0.00 C ATOM 1013 O PHE A 122 0.478 -2.927 2.334 1.00 0.00 O ATOM 1014 CB PHE A 122 1.658 -1.432 -0.331 1.00 0.00 C ATOM 1015 CG PHE A 122 1.400 -0.282 -1.288 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.322 0.597 -1.094 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.245 -0.111 -2.392 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.098 1.640 -2.001 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.016 0.930 -3.297 1.00 0.00 C ATOM 1020 CZ PHE A 122 0.945 1.806 -3.103 1.00 0.00 C ATOM 0 H PHE A 122 2.965 0.267 0.931 1.00 0.00 H new ATOM 0 HA PHE A 122 0.311 -0.663 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.702 -1.737 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.055 -2.292 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.334 0.469 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.075 -0.785 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.730 2.317 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.669 1.057 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.771 2.610 -3.802 1.00 0.00 H new ATOM 1030 N HIS A 123 2.703 -2.600 2.368 1.00 0.00 N ATOM 1031 CA HIS A 123 2.961 -3.763 3.209 1.00 0.00 C ATOM 1032 C HIS A 123 2.194 -3.662 4.526 1.00 0.00 C ATOM 1033 O HIS A 123 1.425 -4.555 4.875 1.00 0.00 O ATOM 1034 CB HIS A 123 4.461 -3.873 3.496 1.00 0.00 C ATOM 1035 CG HIS A 123 4.713 -5.026 4.428 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.120 -6.266 4.246 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.489 -5.143 5.552 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.547 -7.069 5.238 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.383 -6.434 6.063 1.00 0.00 N ATOM 0 H HIS A 123 3.536 -2.075 2.100 1.00 0.00 H new ATOM 0 HA HIS A 123 2.623 -4.653 2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.010 -4.018 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.825 -2.947 3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 123 6.091 -4.354 5.977 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.250 -8.101 5.353 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.845 -6.813 6.890 1.00 0.00 H new ATOM 1047 N ARG A 124 2.410 -2.569 5.251 1.00 0.00 N ATOM 1048 CA ARG A 124 1.736 -2.365 6.531 1.00 0.00 C ATOM 1049 C ARG A 124 0.222 -2.302 6.334 1.00 0.00 C ATOM 1050 O ARG A 124 -0.542 -2.856 7.127 1.00 0.00 O ATOM 1051 CB ARG A 124 2.232 -1.061 7.177 1.00 0.00 C ATOM 1052 CG ARG A 124 3.105 -1.374 8.399 1.00 0.00 C ATOM 1053 CD ARG A 124 4.430 -1.990 7.939 1.00 0.00 C ATOM 1054 NE ARG A 124 5.313 -0.954 7.416 1.00 0.00 N ATOM 1055 CZ ARG A 124 6.625 -1.150 7.327 1.00 0.00 C ATOM 1056 NH1 ARG A 124 7.143 -2.284 7.712 1.00 0.00 N ATOM 1057 NH2 ARG A 124 7.394 -0.208 6.855 1.00 0.00 N ATOM 0 H ARG A 124 3.041 -1.816 4.978 1.00 0.00 H new ATOM 0 HA ARG A 124 1.968 -3.205 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.803 -0.482 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.382 -0.448 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.294 -0.463 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.584 -2.062 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.911 -2.501 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.243 -2.740 7.171 1.00 0.00 H new ATOM 0 HE ARG A 124 4.917 -0.064 7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 124 6.541 -3.020 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 124 8.150 -2.434 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 124 6.989 0.678 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 124 8.401 -0.358 6.787 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.206 -1.620 5.279 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.631 -1.490 5.000 1.00 0.00 C ATOM 1073 C ARG A 125 -2.231 -2.836 4.614 1.00 0.00 C ATOM 1074 O ARG A 125 -3.423 -3.067 4.803 1.00 0.00 O ATOM 1075 CB ARG A 125 -1.854 -0.481 3.870 1.00 0.00 C ATOM 1076 CG ARG A 125 -1.788 0.942 4.432 1.00 0.00 C ATOM 1077 CD ARG A 125 -1.974 1.947 3.295 1.00 0.00 C ATOM 1078 NE ARG A 125 -0.769 2.014 2.481 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.784 2.571 1.277 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -1.891 3.075 0.802 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.308 2.616 0.566 1.00 0.00 N ATOM 0 H ARG A 125 0.405 -1.153 4.609 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.126 -1.135 5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.097 -0.613 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.823 -0.653 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.562 1.083 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.829 1.106 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.823 1.655 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.201 2.932 3.704 1.00 0.00 H new ATOM 0 HE ARG A 125 0.102 1.626 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.746 3.041 1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.901 3.503 -0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.174 2.223 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.297 3.044 -0.360 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.403 -3.725 4.074 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.884 -5.042 3.671 1.00 0.00 C ATOM 1097 C LEU A 126 -1.975 -5.975 4.874 1.00 0.00 C ATOM 1098 O LEU A 126 -3.054 -6.471 5.201 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.959 -5.645 2.606 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.468 -5.272 1.208 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -0.474 -5.765 0.162 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -2.836 -5.924 0.951 1.00 0.00 C ATOM 0 H LEU A 126 -0.410 -3.562 3.907 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.881 -4.925 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.058 -5.277 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.923 -6.729 2.713 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.570 -4.189 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.832 -5.502 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.496 -5.298 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.374 -6.848 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.187 -5.652 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.741 -7.008 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.551 -5.575 1.696 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.846 -6.214 5.533 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.838 -7.094 6.695 1.00 0.00 C ATOM 1116 C LYS A 127 -1.927 -6.679 7.678 1.00 0.00 C ATOM 1117 O LYS A 127 -2.596 -7.529 8.268 1.00 0.00 O ATOM 1118 CB LYS A 127 0.534 -7.066 7.381 1.00 0.00 C ATOM 1119 CG LYS A 127 0.825 -5.659 7.927 1.00 0.00 C ATOM 1120 CD LYS A 127 0.507 -5.596 9.426 1.00 0.00 C ATOM 1121 CE LYS A 127 1.699 -6.125 10.230 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.755 -5.076 10.299 1.00 0.00 N ATOM 0 H LYS A 127 0.061 -5.818 5.288 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.037 -8.112 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.557 -7.792 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.309 -7.357 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.872 -5.405 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 127 0.228 -4.922 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.286 -4.569 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.382 -6.188 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.380 -6.402 11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.096 -7.026 9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.442 -5.323 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.242 -5.013 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.319 -4.159 10.523 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.115 -5.370 7.847 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.143 -4.881 8.758 1.00 0.00 C ATOM 1138 C VAL A 128 -4.523 -5.058 8.129 1.00 0.00 C ATOM 1139 O VAL A 128 -5.483 -5.413 8.812 1.00 0.00 O ATOM 1140 CB VAL A 128 -2.894 -3.408 9.099 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -3.382 -2.516 7.956 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -3.648 -3.044 10.381 1.00 0.00 C ATOM 0 H VAL A 128 -1.579 -4.643 7.374 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.102 -5.459 9.681 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.825 -3.254 9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -3.201 -1.471 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.844 -2.768 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.450 -2.673 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.470 -1.996 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.716 -3.206 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.296 -3.670 11.201 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.610 -4.824 6.822 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.874 -4.982 6.111 1.00 0.00 C ATOM 1154 C TYR A 129 -6.345 -6.430 6.216 1.00 0.00 C ATOM 1155 O TYR A 129 -7.544 -6.704 6.273 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.688 -4.594 4.635 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.624 -5.392 3.754 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.007 -5.314 3.952 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.106 -6.211 2.737 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -8.875 -6.054 3.139 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -6.976 -6.950 1.925 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.360 -6.872 2.128 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.215 -7.600 1.327 1.00 0.00 O ATOM 0 H TYR A 129 -3.828 -4.527 6.239 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.625 -4.331 6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.878 -3.529 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.656 -4.772 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.406 -4.683 4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.039 -6.271 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -9.942 -5.993 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -6.580 -7.580 1.142 1.00 0.00 H new ATOM 0 HH TYR A 129 -8.694 -8.114 0.675 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.387 -7.350 6.240 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.705 -8.770 6.336 1.00 0.00 C ATOM 1175 C HIS A 130 -6.053 -9.148 7.772 1.00 0.00 C ATOM 1176 O HIS A 130 -6.937 -9.971 8.010 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.512 -9.604 5.860 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.429 -9.552 4.357 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -5.349 -10.193 3.543 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -3.542 -8.937 3.508 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.997 -9.954 2.268 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.903 -9.193 2.189 1.00 0.00 N ATOM 0 H HIS A 130 -4.390 -7.140 6.195 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.568 -8.973 5.702 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.590 -9.223 6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.620 -10.636 6.193 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -6.148 -10.746 3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.693 -8.345 3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.534 -10.332 1.411 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.355 -8.540 8.725 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.605 -8.822 10.133 1.00 0.00 C ATOM 1192 C ALA A 131 -6.976 -8.293 10.539 1.00 0.00 C ATOM 1193 O ALA A 131 -7.750 -8.981 11.205 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.526 -8.170 10.999 1.00 0.00 C ATOM 0 H ALA A 131 -4.619 -7.856 8.551 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.580 -9.901 10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.722 -8.387 12.049 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.549 -8.567 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.537 -7.091 10.843 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.271 -7.066 10.123 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.552 -6.447 10.439 1.00 0.00 C ATOM 1202 C TRP A 132 -9.679 -7.160 9.694 1.00 0.00 C ATOM 1203 O TRP A 132 -10.748 -7.400 10.252 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.514 -4.961 10.057 1.00 0.00 C ATOM 1205 CG TRP A 132 -9.898 -4.467 9.774 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -10.751 -3.971 10.698 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.596 -4.413 8.499 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -11.933 -3.617 10.069 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -11.885 -3.869 8.713 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.239 -4.780 7.189 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -12.789 -3.697 7.663 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.145 -4.607 6.131 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.418 -4.066 6.368 1.00 0.00 C ATOM 0 H TRP A 132 -6.643 -6.483 9.569 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.738 -6.533 11.509 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.071 -4.381 10.866 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.882 -4.819 9.180 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.545 -3.868 11.753 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -12.740 -3.219 10.549 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.262 -5.197 6.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -13.768 -3.282 7.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -10.861 -4.892 5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.110 -3.935 5.550 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.428 -7.498 8.432 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.431 -8.187 7.626 1.00 0.00 C ATOM 1226 C LYS A 133 -10.665 -9.595 8.165 1.00 0.00 C ATOM 1227 O LYS A 133 -11.804 -10.057 8.249 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.964 -8.263 6.166 1.00 0.00 C ATOM 1229 CG LYS A 133 -11.065 -8.883 5.292 1.00 0.00 C ATOM 1230 CD LYS A 133 -12.078 -7.805 4.879 1.00 0.00 C ATOM 1231 CE LYS A 133 -13.487 -8.405 4.850 1.00 0.00 C ATOM 1232 NZ LYS A 133 -13.534 -9.510 3.850 1.00 0.00 N ATOM 0 H LYS A 133 -8.549 -7.309 7.950 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.366 -7.629 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.718 -7.265 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -9.055 -8.860 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.624 -9.338 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.571 -9.678 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -12.042 -6.971 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.821 -7.408 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -13.754 -8.782 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -14.216 -7.637 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -14.525 -9.759 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -13.074 -9.201 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -13.036 -10.341 4.228 1.00 0.00 H new ATOM 1246 N SER A 134 -9.583 -10.270 8.530 1.00 0.00 N ATOM 1247 CA SER A 134 -9.678 -11.623 9.062 1.00 0.00 C ATOM 1248 C SER A 134 -10.425 -11.620 10.391 1.00 0.00 C ATOM 1249 O SER A 134 -11.155 -12.558 10.709 1.00 0.00 O ATOM 1250 CB SER A 134 -8.281 -12.205 9.264 1.00 0.00 C ATOM 1251 OG SER A 134 -8.391 -13.540 9.741 1.00 0.00 O ATOM 0 H SER A 134 -8.633 -9.905 8.468 1.00 0.00 H new ATOM 0 HA SER A 134 -10.226 -12.237 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.728 -12.187 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.721 -11.598 9.975 1.00 0.00 H new ATOM 0 HG SER A 134 -7.495 -13.916 9.870 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.232 -10.556 11.164 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.887 -10.433 12.460 1.00 0.00 C ATOM 1259 C LYS A 135 -12.320 -9.937 12.291 1.00 0.00 C ATOM 1260 O LYS A 135 -13.196 -10.256 13.094 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.104 -9.459 13.343 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.878 -10.167 13.929 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.124 -9.212 14.863 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.204 -8.302 14.043 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.373 -7.476 14.965 1.00 0.00 N ATOM 0 H LYS A 135 -9.630 -9.770 10.917 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.912 -11.415 12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.792 -8.593 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.741 -9.088 14.146 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.188 -11.057 14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.220 -10.500 13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.833 -8.610 15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.538 -9.782 15.585 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.563 -8.902 13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.797 -7.657 13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.748 -6.858 14.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.993 -6.894 15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.798 -8.100 15.566 1.00 0.00 H new