USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 741 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 33 GLN : amide:sc= -0.232 X(o=-4.2,f=-3.7) USER MOD Set 1.2: A 36 ASN : amide:sc= -3.94 X(o=-4.2,f=-3.7!) USER MOD Set 2.1: A 12 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0604) USER MOD Set 2.3: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= -0.673 (180deg=-1.59!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 18 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.043) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.71) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -120:sc= 0.994 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -120:sc= 0 (180deg=-0.868) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.412 X(o=0.41,f=-0.075) USER MOD Single : A 73 GLN : amide:sc= -0.958 K(o=-0.96,f=-6.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -115:sc= -0.239 (180deg=-0.865) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -1.62 (180deg=-3.08!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -1.18 F(o=-2,f=-1.2) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.4 K(o=-0.4,f=-0.91) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 60:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 6.473 8.111 6.039 1.00 0.00 N ATOM 88 CA SER A 9 6.639 6.913 5.225 1.00 0.00 C ATOM 89 C SER A 9 7.134 5.744 6.070 1.00 0.00 C ATOM 90 O SER A 9 7.760 5.938 7.111 1.00 0.00 O ATOM 91 CB SER A 9 7.619 7.182 4.080 1.00 0.00 C ATOM 92 OG SER A 9 8.065 5.971 3.495 1.00 0.00 O ATOM 0 HA SER A 9 5.667 6.649 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.137 7.800 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.474 7.745 4.454 1.00 0.00 H new ATOM 0 HG SER A 9 8.688 6.170 2.766 1.00 0.00 H new ATOM 98 N LEU A 10 6.848 4.529 5.612 1.00 0.00 N ATOM 99 CA LEU A 10 7.264 3.326 6.324 1.00 0.00 C ATOM 100 C LEU A 10 8.304 2.551 5.521 1.00 0.00 C ATOM 101 O LEU A 10 8.473 2.780 4.323 1.00 0.00 O ATOM 102 CB LEU A 10 6.054 2.433 6.609 1.00 0.00 C ATOM 103 CG LEU A 10 5.242 2.819 7.847 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.877 2.149 7.820 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.995 2.446 9.115 1.00 0.00 C ATOM 0 H LEU A 10 6.330 4.352 4.751 1.00 0.00 H new ATOM 0 HA LEU A 10 7.714 3.630 7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.395 2.452 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.399 1.406 6.725 1.00 0.00 H new ATOM 0 HG LEU A 10 5.094 3.899 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.314 2.435 8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.334 2.465 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.003 1.066 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.403 2.728 9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.173 1.371 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.949 2.972 9.139 1.00 0.00 H new ATOM 117 N LYS A 11 8.997 1.634 6.187 1.00 0.00 N ATOM 118 CA LYS A 11 10.021 0.827 5.534 1.00 0.00 C ATOM 119 C LYS A 11 10.137 -0.543 6.196 1.00 0.00 C ATOM 120 O LYS A 11 10.708 -0.674 7.277 1.00 0.00 O ATOM 121 CB LYS A 11 11.371 1.544 5.578 1.00 0.00 C ATOM 122 CG LYS A 11 12.421 0.923 4.670 1.00 0.00 C ATOM 123 CD LYS A 11 12.282 1.414 3.239 1.00 0.00 C ATOM 124 CE LYS A 11 13.622 1.425 2.522 1.00 0.00 C ATOM 125 NZ LYS A 11 13.460 1.441 1.042 1.00 0.00 N ATOM 0 H LYS A 11 8.868 1.431 7.178 1.00 0.00 H new ATOM 0 HA LYS A 11 9.728 0.685 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.228 2.587 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.741 1.540 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.416 1.166 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.328 -0.163 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.585 0.773 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.859 2.418 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.193 2.299 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.198 0.547 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.250 0.928 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.563 0.982 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.454 2.425 0.704 1.00 0.00 H new ATOM 139 N TYR A 12 9.590 -1.560 5.538 1.00 0.00 N ATOM 140 CA TYR A 12 9.633 -2.920 6.062 1.00 0.00 C ATOM 141 C TYR A 12 10.098 -3.903 4.993 1.00 0.00 C ATOM 142 O TYR A 12 9.686 -3.817 3.836 1.00 0.00 O ATOM 143 CB TYR A 12 8.254 -3.332 6.584 1.00 0.00 C ATOM 144 CG TYR A 12 8.037 -3.008 8.044 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.634 -3.769 9.040 1.00 0.00 C ATOM 146 CD2 TYR A 12 7.235 -1.940 8.426 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.438 -3.477 10.377 1.00 0.00 C ATOM 148 CE2 TYR A 12 7.033 -1.640 9.761 1.00 0.00 C ATOM 149 CZ TYR A 12 7.638 -2.412 10.731 1.00 0.00 C ATOM 150 OH TYR A 12 7.440 -2.117 12.061 1.00 0.00 O ATOM 0 H TYR A 12 9.112 -1.468 4.642 1.00 0.00 H new ATOM 0 HA TYR A 12 10.348 -2.942 6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.487 -2.833 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.124 -4.404 6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.262 -4.603 8.766 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.761 -1.334 7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.909 -4.080 11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.406 -0.807 10.042 1.00 0.00 H new ATOM 0 HH TYR A 12 7.060 -1.217 12.144 1.00 0.00 H new ATOM 160 N THR A 13 10.959 -4.835 5.387 1.00 0.00 N ATOM 161 CA THR A 13 11.480 -5.835 4.461 1.00 0.00 C ATOM 162 C THR A 13 10.561 -7.050 4.402 1.00 0.00 C ATOM 163 O THR A 13 9.692 -7.228 5.255 1.00 0.00 O ATOM 164 CB THR A 13 12.886 -6.264 4.880 1.00 0.00 C ATOM 165 OG1 THR A 13 12.964 -6.428 6.285 1.00 0.00 O ATOM 166 CG2 THR A 13 13.960 -5.277 4.474 1.00 0.00 C ATOM 0 H THR A 13 11.311 -4.919 6.341 1.00 0.00 H new ATOM 0 HA THR A 13 11.526 -5.387 3.468 1.00 0.00 H new ATOM 0 HB THR A 13 13.065 -7.206 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.871 -6.704 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.933 -5.643 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.961 -5.166 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.760 -4.311 4.938 1.00 0.00 H new ATOM 174 N ALA A 14 10.758 -7.885 3.386 1.00 0.00 N ATOM 175 CA ALA A 14 9.949 -9.085 3.215 1.00 0.00 C ATOM 176 C ALA A 14 10.095 -10.020 4.409 1.00 0.00 C ATOM 177 O ALA A 14 9.118 -10.608 4.873 1.00 0.00 O ATOM 178 CB ALA A 14 10.332 -9.800 1.929 1.00 0.00 C ATOM 0 H ALA A 14 11.471 -7.752 2.669 1.00 0.00 H new ATOM 0 HA ALA A 14 8.904 -8.783 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.720 -10.695 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.167 -9.136 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.384 -10.083 1.969 1.00 0.00 H new ATOM 184 N ALA A 15 11.322 -10.155 4.902 1.00 0.00 N ATOM 185 CA ALA A 15 11.596 -11.019 6.044 1.00 0.00 C ATOM 186 C ALA A 15 10.779 -10.600 7.261 1.00 0.00 C ATOM 187 O ALA A 15 10.256 -11.442 7.990 1.00 0.00 O ATOM 188 CB ALA A 15 13.082 -11.002 6.373 1.00 0.00 C ATOM 0 H ALA A 15 12.142 -9.677 4.528 1.00 0.00 H new ATOM 0 HA ALA A 15 11.304 -12.035 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.273 -11.651 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.649 -11.358 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.390 -9.985 6.614 1.00 0.00 H new ATOM 194 N ARG A 16 10.672 -9.292 7.474 1.00 0.00 N ATOM 195 CA ARG A 16 9.916 -8.761 8.603 1.00 0.00 C ATOM 196 C ARG A 16 8.427 -9.051 8.445 1.00 0.00 C ATOM 197 O ARG A 16 7.773 -9.518 9.378 1.00 0.00 O ATOM 198 CB ARG A 16 10.147 -7.253 8.733 1.00 0.00 C ATOM 199 CG ARG A 16 10.997 -6.869 9.933 1.00 0.00 C ATOM 200 CD ARG A 16 10.375 -7.351 11.234 1.00 0.00 C ATOM 201 NE ARG A 16 10.950 -8.618 11.679 1.00 0.00 N ATOM 202 CZ ARG A 16 10.368 -9.427 12.562 1.00 0.00 C ATOM 203 NH1 ARG A 16 9.196 -9.106 13.095 1.00 0.00 N ATOM 204 NH2 ARG A 16 10.960 -10.560 12.913 1.00 0.00 N ATOM 0 H ARG A 16 11.099 -8.581 6.880 1.00 0.00 H new ATOM 0 HA ARG A 16 10.267 -9.254 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.628 -6.888 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.182 -6.751 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.994 -7.296 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.116 -5.786 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.520 -6.596 12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.300 -7.468 11.100 1.00 0.00 H new ATOM 0 HE ARG A 16 11.850 -8.899 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.736 -8.235 12.829 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.755 -9.730 13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.861 -10.812 12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.514 -11.180 13.589 1.00 0.00 H new ATOM 218 N LEU A 17 7.898 -8.773 7.258 1.00 0.00 N ATOM 219 CA LEU A 17 6.486 -9.005 6.978 1.00 0.00 C ATOM 220 C LEU A 17 6.167 -10.495 6.990 1.00 0.00 C ATOM 221 O LEU A 17 5.060 -10.901 7.347 1.00 0.00 O ATOM 222 CB LEU A 17 6.108 -8.402 5.623 1.00 0.00 C ATOM 223 CG LEU A 17 6.523 -6.944 5.425 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.516 -6.583 3.947 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.604 -6.017 6.206 1.00 0.00 C ATOM 0 H LEU A 17 8.426 -8.387 6.475 1.00 0.00 H new ATOM 0 HA LEU A 17 5.902 -8.520 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.562 -9.003 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.028 -8.477 5.498 1.00 0.00 H new ATOM 0 HG LEU A 17 7.538 -6.821 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.814 -5.542 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.216 -7.225 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.513 -6.723 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.914 -4.983 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.579 -6.143 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.659 -6.259 7.267 1.00 0.00 H new ATOM 237 N HIS A 18 7.143 -11.308 6.599 1.00 0.00 N ATOM 238 CA HIS A 18 6.967 -12.755 6.566 1.00 0.00 C ATOM 239 C HIS A 18 6.757 -13.311 7.971 1.00 0.00 C ATOM 240 O HIS A 18 5.906 -14.172 8.189 1.00 0.00 O ATOM 241 CB HIS A 18 8.180 -13.423 5.917 1.00 0.00 C ATOM 242 CG HIS A 18 7.970 -14.872 5.605 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.694 -15.884 6.200 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.110 -15.479 4.753 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.289 -17.049 5.728 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.329 -16.831 4.849 1.00 0.00 N ATOM 0 H HIS A 18 8.065 -10.989 6.300 1.00 0.00 H new ATOM 0 HA HIS A 18 6.079 -12.974 5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.427 -12.894 4.997 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.038 -13.324 6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.387 -14.991 4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.677 -18.016 6.013 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.830 -17.551 4.326 1.00 0.00 H new ATOM 255 N GLU A 19 7.540 -12.810 8.922 1.00 0.00 N ATOM 256 CA GLU A 19 7.440 -13.256 10.308 1.00 0.00 C ATOM 257 C GLU A 19 6.103 -12.846 10.916 1.00 0.00 C ATOM 258 O GLU A 19 5.442 -13.643 11.582 1.00 0.00 O ATOM 259 CB GLU A 19 8.589 -12.678 11.135 1.00 0.00 C ATOM 260 CG GLU A 19 9.953 -13.228 10.752 1.00 0.00 C ATOM 261 CD GLU A 19 10.057 -14.727 10.964 1.00 0.00 C ATOM 262 OE1 GLU A 19 9.477 -15.483 10.157 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.718 -15.142 11.939 1.00 0.00 O ATOM 0 H GLU A 19 8.250 -12.096 8.759 1.00 0.00 H new ATOM 0 HA GLU A 19 7.505 -14.344 10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.599 -11.594 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.406 -12.885 12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.153 -12.998 9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.721 -12.727 11.341 1.00 0.00 H new ATOM 270 N LYS A 20 5.710 -11.598 10.683 1.00 0.00 N ATOM 271 CA LYS A 20 4.452 -11.082 11.209 1.00 0.00 C ATOM 272 C LYS A 20 3.270 -11.887 10.682 1.00 0.00 C ATOM 273 O LYS A 20 2.250 -12.028 11.357 1.00 0.00 O ATOM 274 CB LYS A 20 4.286 -9.607 10.837 1.00 0.00 C ATOM 275 CG LYS A 20 5.360 -8.707 11.426 1.00 0.00 C ATOM 276 CD LYS A 20 5.124 -7.248 11.066 1.00 0.00 C ATOM 277 CE LYS A 20 5.509 -6.324 12.209 1.00 0.00 C ATOM 278 NZ LYS A 20 5.067 -4.923 11.964 1.00 0.00 N ATOM 0 H LYS A 20 6.245 -10.925 10.133 1.00 0.00 H new ATOM 0 HA LYS A 20 4.476 -11.176 12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.298 -9.511 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.309 -9.263 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.374 -8.818 12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.338 -9.019 11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.704 -6.993 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.074 -7.099 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.065 -6.688 13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.590 -6.345 12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.450 -4.303 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.414 -4.607 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.028 -4.879 11.978 1.00 0.00 H new ATOM 292 N GLY A 21 3.412 -12.414 9.470 1.00 0.00 N ATOM 293 CA GLY A 21 2.347 -13.198 8.872 1.00 0.00 C ATOM 294 C GLY A 21 1.771 -12.550 7.627 1.00 0.00 C ATOM 295 O GLY A 21 1.128 -13.215 6.815 1.00 0.00 O ATOM 0 H GLY A 21 4.246 -12.312 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.728 -14.187 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.552 -13.341 9.604 1.00 0.00 H new ATOM 299 N VAL A 22 2.001 -11.248 7.474 1.00 0.00 N ATOM 300 CA VAL A 22 1.500 -10.512 6.320 1.00 0.00 C ATOM 301 C VAL A 22 1.953 -11.154 5.013 1.00 0.00 C ATOM 302 O VAL A 22 1.138 -11.673 4.249 1.00 0.00 O ATOM 303 CB VAL A 22 1.967 -9.045 6.345 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.275 -8.243 5.253 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.714 -8.426 7.711 1.00 0.00 C ATOM 0 H VAL A 22 2.532 -10.682 8.136 1.00 0.00 H new ATOM 0 HA VAL A 22 0.412 -10.543 6.377 1.00 0.00 H new ATOM 0 HB VAL A 22 3.040 -9.023 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.619 -7.209 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.513 -8.672 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.196 -8.272 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.051 -7.389 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.648 -8.461 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.262 -8.984 8.470 1.00 0.00 H new ATOM 315 N LEU A 23 3.257 -11.117 4.761 1.00 0.00 N ATOM 316 CA LEU A 23 3.818 -11.697 3.547 1.00 0.00 C ATOM 317 C LEU A 23 3.832 -13.220 3.625 1.00 0.00 C ATOM 318 O LEU A 23 4.513 -13.802 4.469 1.00 0.00 O ATOM 319 CB LEU A 23 5.238 -11.174 3.316 1.00 0.00 C ATOM 320 CG LEU A 23 5.744 -11.284 1.876 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.871 -10.462 0.940 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.194 -10.836 1.787 1.00 0.00 C ATOM 0 H LEU A 23 3.945 -10.691 5.382 1.00 0.00 H new ATOM 0 HA LEU A 23 3.187 -11.401 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.277 -10.128 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.920 -11.720 3.967 1.00 0.00 H new ATOM 0 HG LEU A 23 5.687 -12.328 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.246 -10.552 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.845 -10.828 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.896 -9.416 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.538 -10.920 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.275 -9.799 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.810 -11.467 2.428 1.00 0.00 H new ATOM 334 N LEU A 24 3.075 -13.861 2.738 1.00 0.00 N ATOM 335 CA LEU A 24 3.002 -15.316 2.707 1.00 0.00 C ATOM 336 C LEU A 24 4.230 -15.908 2.024 1.00 0.00 C ATOM 337 O LEU A 24 5.043 -16.580 2.660 1.00 0.00 O ATOM 338 CB LEU A 24 1.732 -15.769 1.981 1.00 0.00 C ATOM 339 CG LEU A 24 0.437 -15.126 2.481 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.614 -15.122 1.382 1.00 0.00 C ATOM 341 CD2 LEU A 24 -0.078 -15.857 3.713 1.00 0.00 C ATOM 0 H LEU A 24 2.505 -13.395 2.033 1.00 0.00 H new ATOM 0 HA LEU A 24 2.972 -15.675 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.842 -15.551 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.643 -16.851 2.077 1.00 0.00 H new ATOM 0 HG LEU A 24 0.648 -14.093 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.529 -14.661 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.245 -14.555 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.823 -16.147 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.000 -15.387 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.274 -16.900 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.670 -15.809 4.504 1.00 0.00 H new ATOM 353 N GLU A 25 4.361 -15.653 0.727 1.00 0.00 N ATOM 354 CA GLU A 25 5.491 -16.158 -0.043 1.00 0.00 C ATOM 355 C GLU A 25 5.678 -15.355 -1.325 1.00 0.00 C ATOM 356 O GLU A 25 4.929 -14.418 -1.600 1.00 0.00 O ATOM 357 CB GLU A 25 5.287 -17.636 -0.382 1.00 0.00 C ATOM 358 CG GLU A 25 5.710 -18.580 0.732 1.00 0.00 C ATOM 359 CD GLU A 25 6.331 -19.859 0.207 1.00 0.00 C ATOM 360 OE1 GLU A 25 5.652 -20.580 -0.554 1.00 0.00 O ATOM 361 OE2 GLU A 25 7.497 -20.141 0.558 1.00 0.00 O ATOM 0 H GLU A 25 3.697 -15.099 0.186 1.00 0.00 H new ATOM 0 HA GLU A 25 6.388 -16.052 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.235 -17.806 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.852 -17.875 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.424 -18.073 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.842 -18.826 1.344 1.00 0.00 H new ATOM 368 N ILE A 26 6.684 -15.732 -2.108 1.00 0.00 N ATOM 369 CA ILE A 26 6.973 -15.051 -3.363 1.00 0.00 C ATOM 370 C ILE A 26 7.443 -16.039 -4.424 1.00 0.00 C ATOM 371 O ILE A 26 8.364 -16.821 -4.191 1.00 0.00 O ATOM 372 CB ILE A 26 8.047 -13.962 -3.179 1.00 0.00 C ATOM 373 CG1 ILE A 26 7.708 -13.077 -1.978 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.175 -13.125 -4.443 1.00 0.00 C ATOM 375 CD1 ILE A 26 8.793 -12.080 -1.637 1.00 0.00 C ATOM 0 H ILE A 26 7.313 -16.506 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 26 6.045 -14.581 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 26 9.005 -14.446 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.783 -12.539 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.522 -13.711 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.938 -12.360 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.459 -13.767 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.220 -12.648 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.485 -11.487 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.714 -12.612 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.963 -11.422 -2.489 1.00 0.00 H new ATOM 387 N GLU A 27 6.805 -16.000 -5.589 1.00 0.00 N ATOM 388 CA GLU A 27 7.160 -16.894 -6.684 1.00 0.00 C ATOM 389 C GLU A 27 8.343 -16.344 -7.476 1.00 0.00 C ATOM 390 O GLU A 27 8.257 -16.146 -8.688 1.00 0.00 O ATOM 391 CB GLU A 27 5.959 -17.100 -7.611 1.00 0.00 C ATOM 392 CG GLU A 27 4.724 -17.627 -6.897 1.00 0.00 C ATOM 393 CD GLU A 27 4.421 -19.071 -7.246 1.00 0.00 C ATOM 394 OE1 GLU A 27 3.688 -19.302 -8.231 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.916 -19.971 -6.535 1.00 0.00 O ATOM 0 H GLU A 27 6.040 -15.359 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 27 7.449 -17.854 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.714 -16.153 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.236 -17.797 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.866 -17.540 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.866 -17.007 -7.157 1.00 0.00 H new ATOM 402 N ASP A 28 9.449 -16.098 -6.779 1.00 0.00 N ATOM 403 CA ASP A 28 10.652 -15.570 -7.413 1.00 0.00 C ATOM 404 C ASP A 28 11.784 -15.433 -6.401 1.00 0.00 C ATOM 405 O ASP A 28 12.900 -15.895 -6.636 1.00 0.00 O ATOM 406 CB ASP A 28 10.364 -14.212 -8.058 1.00 0.00 C ATOM 407 CG ASP A 28 11.533 -13.700 -8.876 1.00 0.00 C ATOM 408 OD1 ASP A 28 12.652 -14.226 -8.707 1.00 0.00 O ATOM 409 OD2 ASP A 28 11.328 -12.771 -9.686 1.00 0.00 O ATOM 0 H ASP A 28 9.536 -16.256 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 28 10.961 -16.273 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.486 -14.296 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.124 -13.487 -7.280 1.00 0.00 H new ATOM 414 N LEU A 29 11.486 -14.798 -5.272 1.00 0.00 N ATOM 415 CA LEU A 29 12.478 -14.600 -4.222 1.00 0.00 C ATOM 416 C LEU A 29 12.312 -15.635 -3.116 1.00 0.00 C ATOM 417 O LEU A 29 11.281 -15.679 -2.442 1.00 0.00 O ATOM 418 CB LEU A 29 12.360 -13.190 -3.638 1.00 0.00 C ATOM 419 CG LEU A 29 12.999 -12.084 -4.479 1.00 0.00 C ATOM 420 CD1 LEU A 29 14.454 -12.410 -4.772 1.00 0.00 C ATOM 421 CD2 LEU A 29 12.224 -11.885 -5.774 1.00 0.00 C ATOM 0 H LEU A 29 10.566 -14.412 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 29 13.467 -14.721 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.304 -12.957 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.818 -13.184 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 29 12.964 -11.155 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.892 -11.612 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.002 -12.502 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.513 -13.350 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.692 -11.094 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.228 -12.812 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.196 -11.605 -5.544 1.00 0.00 H new ATOM 433 N GLN A 30 13.331 -16.467 -2.930 1.00 0.00 N ATOM 434 CA GLN A 30 13.296 -17.501 -1.904 1.00 0.00 C ATOM 435 C GLN A 30 13.141 -16.884 -0.518 1.00 0.00 C ATOM 436 O GLN A 30 13.318 -15.678 -0.341 1.00 0.00 O ATOM 437 CB GLN A 30 14.569 -18.349 -1.961 1.00 0.00 C ATOM 438 CG GLN A 30 14.399 -19.650 -2.730 1.00 0.00 C ATOM 439 CD GLN A 30 15.721 -20.336 -3.016 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.417 -19.992 -3.971 1.00 0.00 O ATOM 441 NE2 GLN A 30 16.072 -21.312 -2.187 1.00 0.00 N ATOM 0 H GLN A 30 14.192 -16.445 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 30 12.435 -18.141 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.365 -17.765 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.890 -18.577 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.760 -20.324 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.888 -19.447 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.463 -21.563 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.951 -21.810 -2.329 1.00 0.00 H new ATOM 450 N VAL A 31 12.810 -17.717 0.463 1.00 0.00 N ATOM 451 CA VAL A 31 12.629 -17.252 1.834 1.00 0.00 C ATOM 452 C VAL A 31 13.881 -16.551 2.348 1.00 0.00 C ATOM 453 O VAL A 31 13.796 -15.574 3.093 1.00 0.00 O ATOM 454 CB VAL A 31 12.281 -18.416 2.780 1.00 0.00 C ATOM 455 CG1 VAL A 31 11.900 -17.891 4.156 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.160 -19.262 2.195 1.00 0.00 C ATOM 0 H VAL A 31 12.662 -18.718 0.334 1.00 0.00 H new ATOM 0 HA VAL A 31 11.800 -16.544 1.820 1.00 0.00 H new ATOM 0 HB VAL A 31 13.163 -19.047 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.657 -18.728 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.736 -17.332 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.033 -17.236 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.927 -20.080 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.273 -18.644 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.475 -19.669 1.234 1.00 0.00 H new ATOM 466 N ASN A 32 15.044 -17.055 1.947 1.00 0.00 N ATOM 467 CA ASN A 32 16.314 -16.476 2.369 1.00 0.00 C ATOM 468 C ASN A 32 16.565 -15.143 1.670 1.00 0.00 C ATOM 469 O ASN A 32 17.274 -14.281 2.191 1.00 0.00 O ATOM 470 CB ASN A 32 17.462 -17.443 2.074 1.00 0.00 C ATOM 471 CG ASN A 32 17.439 -17.949 0.645 1.00 0.00 C ATOM 472 OD1 ASN A 32 16.969 -19.054 0.373 1.00 0.00 O ATOM 473 ND2 ASN A 32 17.948 -17.142 -0.279 1.00 0.00 N ATOM 0 H ASN A 32 15.133 -17.863 1.331 1.00 0.00 H new ATOM 0 HA ASN A 32 16.264 -16.298 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.412 -16.944 2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.405 -18.290 2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.959 -17.430 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.327 -16.234 -0.010 1.00 0.00 H new ATOM 480 N GLN A 33 15.978 -14.978 0.488 1.00 0.00 N ATOM 481 CA GLN A 33 16.138 -13.748 -0.281 1.00 0.00 C ATOM 482 C GLN A 33 15.299 -12.615 0.305 1.00 0.00 C ATOM 483 O GLN A 33 15.512 -11.446 -0.014 1.00 0.00 O ATOM 484 CB GLN A 33 15.749 -13.984 -1.742 1.00 0.00 C ATOM 485 CG GLN A 33 16.706 -14.899 -2.486 1.00 0.00 C ATOM 486 CD GLN A 33 16.901 -14.490 -3.933 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.551 -13.486 -4.223 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.335 -15.267 -4.849 1.00 0.00 N ATOM 0 H GLN A 33 15.388 -15.680 0.042 1.00 0.00 H new ATOM 0 HA GLN A 33 17.187 -13.455 -0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.748 -14.413 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.703 -13.024 -2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.671 -14.898 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.328 -15.921 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.805 -16.090 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.430 -15.041 -5.839 1.00 0.00 H new ATOM 497 N PHE A 34 14.344 -12.965 1.166 1.00 0.00 N ATOM 498 CA PHE A 34 13.477 -11.973 1.794 1.00 0.00 C ATOM 499 C PHE A 34 14.295 -10.854 2.436 1.00 0.00 C ATOM 500 O PHE A 34 13.826 -9.722 2.560 1.00 0.00 O ATOM 501 CB PHE A 34 12.589 -12.638 2.848 1.00 0.00 C ATOM 502 CG PHE A 34 11.315 -13.213 2.291 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.304 -13.840 1.054 1.00 0.00 C ATOM 504 CD2 PHE A 34 10.132 -13.129 3.007 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.134 -14.370 0.541 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.960 -13.657 2.500 1.00 0.00 C ATOM 507 CZ PHE A 34 8.961 -14.277 1.265 1.00 0.00 C ATOM 0 H PHE A 34 14.152 -13.928 1.443 1.00 0.00 H new ATOM 0 HA PHE A 34 12.849 -11.536 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.153 -13.433 3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.341 -11.905 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.219 -13.915 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.126 -12.645 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.137 -14.856 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.044 -13.585 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.046 -14.689 0.866 1.00 0.00 H new ATOM 517 N LYS A 35 15.519 -11.179 2.841 1.00 0.00 N ATOM 518 CA LYS A 35 16.400 -10.202 3.469 1.00 0.00 C ATOM 519 C LYS A 35 16.826 -9.130 2.471 1.00 0.00 C ATOM 520 O LYS A 35 17.082 -7.985 2.847 1.00 0.00 O ATOM 521 CB LYS A 35 17.635 -10.896 4.047 1.00 0.00 C ATOM 522 CG LYS A 35 18.134 -10.271 5.341 1.00 0.00 C ATOM 523 CD LYS A 35 19.161 -9.183 5.073 1.00 0.00 C ATOM 524 CE LYS A 35 19.426 -8.350 6.317 1.00 0.00 C ATOM 525 NZ LYS A 35 20.641 -7.502 6.169 1.00 0.00 N ATOM 0 H LYS A 35 15.922 -12.111 2.745 1.00 0.00 H new ATOM 0 HA LYS A 35 15.849 -9.721 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.401 -11.945 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.436 -10.870 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.292 -9.851 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.575 -11.042 5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.092 -9.636 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.807 -8.537 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.563 -7.716 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.546 -9.009 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.787 -6.950 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.469 -8.108 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.517 -6.855 5.364 1.00 0.00 H new ATOM 539 N ASN A 36 16.901 -9.507 1.198 1.00 0.00 N ATOM 540 CA ASN A 36 17.297 -8.576 0.147 1.00 0.00 C ATOM 541 C ASN A 36 16.075 -8.001 -0.560 1.00 0.00 C ATOM 542 O ASN A 36 16.101 -7.758 -1.768 1.00 0.00 O ATOM 543 CB ASN A 36 18.208 -9.274 -0.865 1.00 0.00 C ATOM 544 CG ASN A 36 17.514 -10.419 -1.576 1.00 0.00 C ATOM 545 OD1 ASN A 36 16.457 -10.240 -2.182 1.00 0.00 O ATOM 546 ND2 ASN A 36 18.107 -11.606 -1.505 1.00 0.00 N ATOM 0 H ASN A 36 16.693 -10.450 0.870 1.00 0.00 H new ATOM 0 HA ASN A 36 17.844 -7.755 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.551 -8.548 -1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.093 -9.651 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.687 -12.414 -1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 36 18.982 -11.709 -0.992 1.00 0.00 H new ATOM 553 N VAL A 37 15.005 -7.784 0.197 1.00 0.00 N ATOM 554 CA VAL A 37 13.774 -7.236 -0.356 1.00 0.00 C ATOM 555 C VAL A 37 13.176 -6.183 0.571 1.00 0.00 C ATOM 556 O VAL A 37 13.203 -6.332 1.792 1.00 0.00 O ATOM 557 CB VAL A 37 12.728 -8.340 -0.603 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.532 -7.783 -1.360 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.349 -9.505 -1.357 1.00 0.00 C ATOM 0 H VAL A 37 14.966 -7.980 1.197 1.00 0.00 H new ATOM 0 HA VAL A 37 14.034 -6.773 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 37 12.379 -8.707 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.804 -8.577 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.072 -6.985 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.862 -7.387 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.595 -10.275 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.728 -9.156 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.170 -9.921 -0.773 1.00 0.00 H new ATOM 569 N ILE A 38 12.641 -5.119 -0.016 1.00 0.00 N ATOM 570 CA ILE A 38 12.039 -4.041 0.758 1.00 0.00 C ATOM 571 C ILE A 38 10.716 -3.593 0.144 1.00 0.00 C ATOM 572 O ILE A 38 10.532 -3.657 -1.072 1.00 0.00 O ATOM 573 CB ILE A 38 12.990 -2.829 0.862 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.382 -1.741 1.749 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.305 -2.278 -0.522 1.00 0.00 C ATOM 576 CD1 ILE A 38 12.253 -2.145 3.202 1.00 0.00 C ATOM 0 H ILE A 38 12.612 -4.980 -1.026 1.00 0.00 H new ATOM 0 HA ILE A 38 11.852 -4.432 1.758 1.00 0.00 H new ATOM 0 HB ILE A 38 13.921 -3.162 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.998 -0.844 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.396 -1.479 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.976 -1.424 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.783 -3.052 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.381 -1.962 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.815 -1.325 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.612 -3.023 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.239 -2.378 3.604 1.00 0.00 H new ATOM 588 N PHE A 39 9.798 -3.141 0.992 1.00 0.00 N ATOM 589 CA PHE A 39 8.492 -2.682 0.533 1.00 0.00 C ATOM 590 C PHE A 39 8.249 -1.233 0.944 1.00 0.00 C ATOM 591 O PHE A 39 7.946 -0.949 2.103 1.00 0.00 O ATOM 592 CB PHE A 39 7.387 -3.576 1.098 1.00 0.00 C ATOM 593 CG PHE A 39 7.251 -4.889 0.380 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.424 -5.007 -0.726 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.950 -6.005 0.811 1.00 0.00 C ATOM 596 CE1 PHE A 39 6.297 -6.212 -1.388 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.827 -7.214 0.152 1.00 0.00 C ATOM 598 CZ PHE A 39 6.999 -7.318 -0.948 1.00 0.00 C ATOM 0 H PHE A 39 9.934 -3.083 2.001 1.00 0.00 H new ATOM 0 HA PHE A 39 8.476 -2.740 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.589 -3.767 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.438 -3.043 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.872 -4.146 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.598 -5.930 1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.650 -6.290 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.378 -8.076 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.900 -8.262 -1.464 1.00 0.00 H new ATOM 608 N GLU A 40 8.384 -0.321 -0.012 1.00 0.00 N ATOM 609 CA GLU A 40 8.179 1.099 0.251 1.00 0.00 C ATOM 610 C GLU A 40 6.711 1.476 0.085 1.00 0.00 C ATOM 611 O GLU A 40 6.133 1.305 -0.988 1.00 0.00 O ATOM 612 CB GLU A 40 9.045 1.942 -0.687 1.00 0.00 C ATOM 613 CG GLU A 40 8.993 3.431 -0.388 1.00 0.00 C ATOM 614 CD GLU A 40 9.767 4.255 -1.398 1.00 0.00 C ATOM 615 OE1 GLU A 40 10.847 3.803 -1.832 1.00 0.00 O ATOM 616 OE2 GLU A 40 9.293 5.356 -1.754 1.00 0.00 O ATOM 0 H GLU A 40 8.635 -0.539 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 40 8.472 1.299 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.078 1.602 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.722 1.775 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.954 3.760 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.396 3.612 0.609 1.00 0.00 H new ATOM 623 N ILE A 41 6.115 1.992 1.155 1.00 0.00 N ATOM 624 CA ILE A 41 4.715 2.396 1.131 1.00 0.00 C ATOM 625 C ILE A 41 4.571 3.889 1.409 1.00 0.00 C ATOM 626 O ILE A 41 4.894 4.362 2.498 1.00 0.00 O ATOM 627 CB ILE A 41 3.884 1.610 2.163 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.138 0.107 2.022 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.404 1.919 1.999 1.00 0.00 C ATOM 630 CD1 ILE A 41 4.303 -0.605 3.347 1.00 0.00 C ATOM 0 H ILE A 41 6.581 2.140 2.050 1.00 0.00 H new ATOM 0 HA ILE A 41 4.339 2.176 0.132 1.00 0.00 H new ATOM 0 HB ILE A 41 4.192 1.918 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.309 -0.344 1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.035 -0.047 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.831 1.356 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.236 2.986 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.082 1.637 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.480 -1.666 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.151 -0.181 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.398 -0.482 3.941 1.00 0.00 H new ATOM 642 N SER A 42 4.083 4.625 0.415 1.00 0.00 N ATOM 643 CA SER A 42 3.896 6.066 0.553 1.00 0.00 C ATOM 644 C SER A 42 2.487 6.387 1.051 1.00 0.00 C ATOM 645 O SER A 42 1.505 6.140 0.352 1.00 0.00 O ATOM 646 CB SER A 42 4.145 6.764 -0.784 1.00 0.00 C ATOM 647 OG SER A 42 5.246 6.186 -1.464 1.00 0.00 O ATOM 0 H SER A 42 3.810 4.249 -0.493 1.00 0.00 H new ATOM 0 HA SER A 42 4.615 6.431 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.252 6.695 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.334 7.824 -0.615 1.00 0.00 H new ATOM 0 HG SER A 42 5.383 6.649 -2.317 1.00 0.00 H new ATOM 653 N PRO A 43 2.366 6.942 2.272 1.00 0.00 N ATOM 654 CA PRO A 43 1.065 7.293 2.852 1.00 0.00 C ATOM 655 C PRO A 43 0.280 8.258 1.970 1.00 0.00 C ATOM 656 O PRO A 43 0.862 9.082 1.265 1.00 0.00 O ATOM 657 CB PRO A 43 1.428 7.961 4.182 1.00 0.00 C ATOM 658 CG PRO A 43 2.796 7.467 4.500 1.00 0.00 C ATOM 659 CD PRO A 43 3.479 7.272 3.178 1.00 0.00 C ATOM 0 HA PRO A 43 0.423 6.419 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.411 9.047 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.719 7.692 4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.337 8.184 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.754 6.533 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.005 8.172 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.216 6.470 3.220 1.00 0.00 H new ATOM 667 N THR A 44 -1.044 8.150 2.014 1.00 0.00 N ATOM 668 CA THR A 44 -1.909 9.014 1.220 1.00 0.00 C ATOM 669 C THR A 44 -2.658 10.000 2.109 1.00 0.00 C ATOM 670 O THR A 44 -3.076 9.659 3.216 1.00 0.00 O ATOM 671 CB THR A 44 -2.905 8.175 0.418 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.650 7.327 1.272 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.245 7.305 -0.632 1.00 0.00 C ATOM 0 H THR A 44 -1.541 7.472 2.592 1.00 0.00 H new ATOM 0 HA THR A 44 -1.282 9.579 0.531 1.00 0.00 H new ATOM 0 HB THR A 44 -3.551 8.895 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.500 6.393 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.007 6.736 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.703 7.934 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.550 6.618 -0.150 1.00 0.00 H new ATOM 681 N GLU A 45 -2.825 11.223 1.618 1.00 0.00 N ATOM 682 CA GLU A 45 -3.524 12.260 2.368 1.00 0.00 C ATOM 683 C GLU A 45 -4.957 11.837 2.678 1.00 0.00 C ATOM 684 O GLU A 45 -5.470 12.093 3.767 1.00 0.00 O ATOM 685 CB GLU A 45 -3.527 13.574 1.584 1.00 0.00 C ATOM 686 CG GLU A 45 -3.594 14.809 2.466 1.00 0.00 C ATOM 687 CD GLU A 45 -2.884 16.000 1.855 1.00 0.00 C ATOM 688 OE1 GLU A 45 -3.240 16.387 0.722 1.00 0.00 O ATOM 689 OE2 GLU A 45 -1.970 16.546 2.510 1.00 0.00 O ATOM 0 H GLU A 45 -2.486 11.521 0.703 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.996 12.408 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.627 13.624 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.377 13.578 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.638 15.066 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.149 14.583 3.435 1.00 0.00 H new ATOM 696 N GLU A 46 -5.598 11.185 1.713 1.00 0.00 N ATOM 697 CA GLU A 46 -6.971 10.725 1.882 1.00 0.00 C ATOM 698 C GLU A 46 -7.006 9.329 2.497 1.00 0.00 C ATOM 699 O GLU A 46 -6.008 8.608 2.481 1.00 0.00 O ATOM 700 CB GLU A 46 -7.699 10.723 0.536 1.00 0.00 C ATOM 701 CG GLU A 46 -9.082 11.353 0.591 1.00 0.00 C ATOM 702 CD GLU A 46 -10.192 10.321 0.604 1.00 0.00 C ATOM 703 OE1 GLU A 46 -10.207 9.476 1.524 1.00 0.00 O ATOM 704 OE2 GLU A 46 -11.047 10.358 -0.306 1.00 0.00 O ATOM 0 H GLU A 46 -5.188 10.963 0.806 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.478 11.412 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.094 11.258 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.791 9.696 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.159 11.975 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.212 12.011 -0.269 1.00 0.00 H new ATOM 711 N VAL A 47 -8.160 8.956 3.039 1.00 0.00 N ATOM 712 CA VAL A 47 -8.324 7.646 3.660 1.00 0.00 C ATOM 713 C VAL A 47 -8.867 6.629 2.660 1.00 0.00 C ATOM 714 O VAL A 47 -9.656 6.971 1.778 1.00 0.00 O ATOM 715 CB VAL A 47 -9.267 7.716 4.877 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.655 8.176 4.457 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.334 6.368 5.581 1.00 0.00 C ATOM 0 H VAL A 47 -8.995 9.541 3.061 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.337 7.327 3.996 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.866 8.447 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.304 8.218 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.589 9.166 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.067 7.474 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.005 6.438 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.707 5.614 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.338 6.086 5.922 1.00 0.00 H new ATOM 727 N GLY A 48 -8.440 5.379 2.803 1.00 0.00 N ATOM 728 CA GLY A 48 -8.894 4.333 1.907 1.00 0.00 C ATOM 729 C GLY A 48 -7.878 4.015 0.826 1.00 0.00 C ATOM 730 O GLY A 48 -7.815 2.887 0.337 1.00 0.00 O ATOM 0 H GLY A 48 -7.787 5.072 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.102 3.431 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.831 4.638 1.442 1.00 0.00 H new ATOM 734 N ASP A 49 -7.083 5.012 0.454 1.00 0.00 N ATOM 735 CA ASP A 49 -6.065 4.835 -0.576 1.00 0.00 C ATOM 736 C ASP A 49 -4.726 4.448 0.044 1.00 0.00 C ATOM 737 O ASP A 49 -4.430 4.810 1.182 1.00 0.00 O ATOM 738 CB ASP A 49 -5.908 6.117 -1.395 1.00 0.00 C ATOM 739 CG ASP A 49 -7.212 6.557 -2.033 1.00 0.00 C ATOM 740 OD1 ASP A 49 -8.000 7.251 -1.356 1.00 0.00 O ATOM 741 OD2 ASP A 49 -7.444 6.208 -3.209 1.00 0.00 O ATOM 0 H ASP A 49 -7.123 5.951 0.850 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.388 4.029 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.535 6.913 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.161 5.959 -2.173 1.00 0.00 H new ATOM 746 N PHE A 50 -3.921 3.710 -0.714 1.00 0.00 N ATOM 747 CA PHE A 50 -2.613 3.274 -0.239 1.00 0.00 C ATOM 748 C PHE A 50 -1.668 3.020 -1.409 1.00 0.00 C ATOM 749 O PHE A 50 -2.060 2.438 -2.422 1.00 0.00 O ATOM 750 CB PHE A 50 -2.750 2.006 0.605 1.00 0.00 C ATOM 751 CG PHE A 50 -3.646 2.174 1.800 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.264 2.978 2.861 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.869 1.527 1.860 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.085 3.134 3.961 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.696 1.678 2.957 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.303 2.483 4.009 1.00 0.00 C ATOM 0 H PHE A 50 -4.151 3.402 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.194 4.069 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.139 1.203 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.761 1.696 0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.313 3.489 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.180 0.897 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.775 3.764 4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.647 1.168 2.992 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.947 2.603 4.868 1.00 0.00 H new ATOM 766 N GLU A 51 -0.422 3.458 -1.264 1.00 0.00 N ATOM 767 CA GLU A 51 0.578 3.278 -2.308 1.00 0.00 C ATOM 768 C GLU A 51 1.576 2.189 -1.924 1.00 0.00 C ATOM 769 O GLU A 51 2.334 2.339 -0.967 1.00 0.00 O ATOM 770 CB GLU A 51 1.315 4.592 -2.572 1.00 0.00 C ATOM 771 CG GLU A 51 0.758 5.374 -3.750 1.00 0.00 C ATOM 772 CD GLU A 51 1.206 6.822 -3.753 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.920 7.534 -2.767 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.842 7.245 -4.741 1.00 0.00 O ATOM 0 H GLU A 51 -0.081 3.941 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 51 0.064 2.970 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.265 5.213 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.368 4.378 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.073 4.898 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.331 5.335 -3.725 1.00 0.00 H new ATOM 781 N VAL A 52 1.566 1.093 -2.677 1.00 0.00 N ATOM 782 CA VAL A 52 2.470 -0.020 -2.415 1.00 0.00 C ATOM 783 C VAL A 52 3.498 -0.169 -3.531 1.00 0.00 C ATOM 784 O VAL A 52 3.148 -0.192 -4.712 1.00 0.00 O ATOM 785 CB VAL A 52 1.698 -1.346 -2.263 1.00 0.00 C ATOM 786 CG1 VAL A 52 2.628 -2.455 -1.795 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.530 -1.176 -1.303 1.00 0.00 C ATOM 0 H VAL A 52 0.943 0.953 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 52 2.984 0.203 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 52 1.299 -1.627 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.065 -3.383 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.426 -2.593 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.060 -2.185 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.003 -2.122 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.904 -0.870 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.148 -0.414 -1.687 1.00 0.00 H new ATOM 797 N LYS A 53 4.766 -0.271 -3.150 1.00 0.00 N ATOM 798 CA LYS A 53 5.847 -0.418 -4.119 1.00 0.00 C ATOM 799 C LYS A 53 7.005 -1.213 -3.525 1.00 0.00 C ATOM 800 O LYS A 53 7.204 -1.225 -2.309 1.00 0.00 O ATOM 801 CB LYS A 53 6.339 0.955 -4.579 1.00 0.00 C ATOM 802 CG LYS A 53 7.140 0.913 -5.869 1.00 0.00 C ATOM 803 CD LYS A 53 6.933 2.174 -6.695 1.00 0.00 C ATOM 804 CE LYS A 53 7.891 3.277 -6.276 1.00 0.00 C ATOM 805 NZ LYS A 53 7.258 4.229 -5.321 1.00 0.00 N ATOM 0 H LYS A 53 5.071 -0.255 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 53 5.458 -0.963 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.480 1.612 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.954 1.393 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.199 0.798 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.845 0.041 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.078 1.946 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.906 2.520 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.775 2.835 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.229 3.819 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.944 4.966 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.429 4.670 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.958 3.716 -4.467 1.00 0.00 H new ATOM 819 N ALA A 54 7.767 -1.874 -4.389 1.00 0.00 N ATOM 820 CA ALA A 54 8.906 -2.672 -3.949 1.00 0.00 C ATOM 821 C ALA A 54 10.108 -2.464 -4.866 1.00 0.00 C ATOM 822 O ALA A 54 10.053 -2.773 -6.055 1.00 0.00 O ATOM 823 CB ALA A 54 8.529 -4.145 -3.896 1.00 0.00 C ATOM 0 H ALA A 54 7.617 -1.873 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 54 9.184 -2.343 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.388 -4.729 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.705 -4.285 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.223 -4.478 -4.888 1.00 0.00 H new ATOM 974 N PHE A 64 1.985 1.715 -7.609 1.00 0.00 N ATOM 975 CA PHE A 64 0.847 0.807 -7.522 1.00 0.00 C ATOM 976 C PHE A 64 -0.134 1.263 -6.447 1.00 0.00 C ATOM 977 O PHE A 64 0.090 1.048 -5.257 1.00 0.00 O ATOM 978 CB PHE A 64 1.325 -0.614 -7.223 1.00 0.00 C ATOM 979 CG PHE A 64 0.400 -1.680 -7.737 1.00 0.00 C ATOM 980 CD1 PHE A 64 0.311 -1.943 -9.095 1.00 0.00 C ATOM 981 CD2 PHE A 64 -0.380 -2.419 -6.863 1.00 0.00 C ATOM 982 CE1 PHE A 64 -0.539 -2.923 -9.571 1.00 0.00 C ATOM 983 CE2 PHE A 64 -1.233 -3.401 -7.333 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.312 -3.653 -8.689 1.00 0.00 C ATOM 0 HA PHE A 64 0.333 0.816 -8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.311 -0.757 -7.664 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.438 -0.731 -6.145 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.913 -1.375 -9.789 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.321 -2.226 -5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.599 -3.118 -10.632 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.836 -3.970 -6.641 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.977 -4.419 -9.059 1.00 0.00 H new ATOM 994 N MET A 65 -1.223 1.894 -6.876 1.00 0.00 N ATOM 995 CA MET A 65 -2.239 2.379 -5.950 1.00 0.00 C ATOM 996 C MET A 65 -3.195 1.258 -5.556 1.00 0.00 C ATOM 997 O MET A 65 -4.042 0.843 -6.348 1.00 0.00 O ATOM 998 CB MET A 65 -3.019 3.536 -6.577 1.00 0.00 C ATOM 999 CG MET A 65 -2.510 4.908 -6.163 1.00 0.00 C ATOM 1000 SD MET A 65 -3.485 5.640 -4.835 1.00 0.00 S ATOM 1001 CE MET A 65 -2.558 7.140 -4.521 1.00 0.00 C ATOM 0 H MET A 65 -1.424 2.081 -7.858 1.00 0.00 H new ATOM 0 HA MET A 65 -1.736 2.735 -5.051 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.968 3.451 -7.663 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.069 3.448 -6.299 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.472 4.824 -5.842 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.524 5.572 -7.027 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.209 7.143 -3.488 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.701 7.186 -5.193 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.198 8.006 -4.690 1.00 0.00 H new ATOM 1011 N LEU A 66 -3.053 0.771 -4.327 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.904 -0.303 -3.828 1.00 0.00 C ATOM 1013 C LEU A 66 -5.210 0.252 -3.270 1.00 0.00 C ATOM 1014 O LEU A 66 -5.217 1.263 -2.568 1.00 0.00 O ATOM 1015 CB LEU A 66 -3.172 -1.101 -2.747 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.968 -2.261 -2.148 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -4.184 -3.352 -3.186 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -3.256 -2.819 -0.925 1.00 0.00 C ATOM 0 H LEU A 66 -2.357 1.103 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.139 -0.964 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.248 -1.495 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.890 -0.421 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.943 -1.886 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.752 -4.169 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.736 -2.944 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.219 -3.725 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.836 -3.644 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.268 -3.178 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.153 -2.035 -0.175 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.315 -0.415 -3.587 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.627 0.013 -3.118 1.00 0.00 C ATOM 1032 C HIS A 67 -8.069 -0.809 -1.911 1.00 0.00 C ATOM 1033 O HIS A 67 -7.541 -1.892 -1.658 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.660 -0.114 -4.239 1.00 0.00 C ATOM 1035 CG HIS A 67 -8.249 0.564 -5.509 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -7.938 1.906 -5.580 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -8.097 0.079 -6.765 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -7.614 2.217 -6.823 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -7.701 1.126 -7.561 1.00 0.00 N ATOM 0 H HIS A 67 -6.327 -1.254 -4.167 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.553 1.058 -2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.837 -1.170 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.606 0.309 -3.900 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.257 -0.941 -7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.327 3.197 -7.175 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.506 1.070 -8.561 1.00 0.00 H new ATOM 1048 N TYR A 68 -9.040 -0.286 -1.169 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.553 -0.971 0.012 1.00 0.00 C ATOM 1050 C TYR A 68 -10.697 -1.909 -0.358 1.00 0.00 C ATOM 1051 O TYR A 68 -10.864 -2.969 0.245 1.00 0.00 O ATOM 1052 CB TYR A 68 -10.029 0.048 1.050 1.00 0.00 C ATOM 1053 CG TYR A 68 -10.146 -0.520 2.446 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -9.016 -0.765 3.215 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -11.389 -0.810 2.997 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -9.119 -1.283 4.491 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.501 -1.327 4.273 1.00 0.00 C ATOM 1058 CZ TYR A 68 -10.363 -1.562 5.016 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.470 -2.077 6.288 1.00 0.00 O ATOM 0 H TYR A 68 -9.487 0.610 -1.365 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.744 -1.564 0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.336 0.889 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.999 0.440 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.040 -0.547 2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.282 -0.628 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.230 -1.469 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.474 -1.546 4.687 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.415 -2.215 6.506 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.484 -1.511 -1.353 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.613 -2.316 -1.805 1.00 0.00 C ATOM 1071 C GLN A 69 -12.135 -3.618 -2.439 1.00 0.00 C ATOM 1072 O GLN A 69 -12.812 -4.643 -2.359 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.460 -1.528 -2.806 1.00 0.00 C ATOM 1074 CG GLN A 69 -14.710 -2.264 -3.258 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.636 -2.602 -2.107 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -16.521 -1.822 -1.759 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -15.435 -3.771 -1.510 1.00 0.00 N ATOM 0 H GLN A 69 -11.360 -0.636 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.224 -2.560 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.750 -0.579 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.851 -1.293 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.246 -1.651 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.421 -3.183 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.688 -4.387 -1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.027 -4.053 -0.729 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.965 -3.570 -3.068 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.397 -4.747 -3.715 1.00 0.00 C ATOM 1088 C ASP A 70 -9.987 -5.791 -2.683 1.00 0.00 C ATOM 1089 O ASP A 70 -10.192 -6.989 -2.881 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.189 -4.353 -4.568 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.023 -5.244 -5.782 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -9.986 -5.360 -6.570 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -7.931 -5.826 -5.947 1.00 0.00 O ATOM 0 H ASP A 70 -10.392 -2.729 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.162 -5.181 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.299 -3.318 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.286 -4.402 -3.959 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.407 -5.330 -1.580 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.969 -6.225 -0.515 1.00 0.00 C ATOM 1100 C LEU A 71 -10.155 -6.960 0.100 1.00 0.00 C ATOM 1101 O LEU A 71 -10.115 -8.176 0.289 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.225 -5.439 0.566 1.00 0.00 C ATOM 1103 CG LEU A 71 -7.058 -4.589 0.062 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.532 -3.692 1.172 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.948 -5.477 -0.479 1.00 0.00 C ATOM 0 H LEU A 71 -9.229 -4.342 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.293 -6.962 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.936 -4.788 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.848 -6.141 1.310 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.418 -3.955 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.702 -3.095 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.329 -3.031 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.188 -4.306 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.125 -4.856 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.591 -6.136 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.332 -6.077 -1.304 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.209 -6.214 0.409 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.409 -6.792 1.002 1.00 0.00 C ATOM 1119 C LEU A 72 -13.091 -7.749 0.030 1.00 0.00 C ATOM 1120 O LEU A 72 -13.739 -8.712 0.442 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.382 -5.686 1.416 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.773 -4.579 2.277 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.581 -3.296 2.146 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.696 -5.017 3.732 1.00 0.00 C ATOM 0 H LEU A 72 -11.257 -5.206 0.259 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.112 -7.355 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.802 -5.236 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.210 -6.137 1.963 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.761 -4.384 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.133 -2.519 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.584 -2.973 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.605 -3.476 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.260 -4.217 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.698 -5.239 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.075 -5.909 3.811 1.00 0.00 H new ATOM 1136 N GLN A 73 -12.943 -7.479 -1.263 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.545 -8.316 -2.295 1.00 0.00 C ATOM 1138 C GLN A 73 -13.055 -9.757 -2.181 1.00 0.00 C ATOM 1139 O GLN A 73 -13.791 -10.698 -2.478 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.220 -7.763 -3.684 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.342 -7.955 -4.691 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.379 -9.359 -5.261 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.422 -10.122 -5.126 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.488 -9.709 -5.902 1.00 0.00 N ATOM 0 H GLN A 73 -12.411 -6.686 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.625 -8.306 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.996 -6.700 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.319 -8.250 -4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.296 -7.736 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.222 -7.240 -5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.257 -9.045 -5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.571 -10.642 -6.306 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.809 -9.920 -1.750 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.221 -11.247 -1.597 1.00 0.00 C ATOM 1155 C LEU A 74 -11.679 -11.897 -0.296 1.00 0.00 C ATOM 1156 O LEU A 74 -11.810 -13.118 -0.213 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.694 -11.157 -1.625 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.104 -10.536 -2.892 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.610 -10.304 -2.727 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.377 -11.424 -4.097 1.00 0.00 C ATOM 0 H LEU A 74 -11.187 -9.151 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.557 -11.865 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.364 -10.574 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.284 -12.160 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.584 -9.572 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.208 -9.862 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.437 -9.629 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.113 -11.255 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.950 -10.967 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.924 -12.402 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.453 -11.540 -4.227 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.920 -11.073 0.720 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.363 -11.568 2.017 1.00 0.00 C ATOM 1174 C GLN A 75 -13.798 -12.083 1.943 1.00 0.00 C ATOM 1175 O GLN A 75 -14.174 -13.006 2.664 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.255 -10.464 3.071 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.612 -10.925 4.370 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.686 -9.876 5.461 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -12.654 -9.818 6.219 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -10.660 -9.037 5.546 1.00 0.00 N ATOM 0 H GLN A 75 -11.816 -10.060 0.669 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.715 -12.397 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.675 -9.637 2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.252 -10.079 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.105 -11.835 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.568 -11.178 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.878 -9.121 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.654 -8.309 6.260 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.593 -11.479 1.066 1.00 0.00 N ATOM 1190 CA TYR A 76 -15.986 -11.876 0.898 1.00 0.00 C ATOM 1191 C TYR A 76 -16.105 -13.040 -0.079 1.00 0.00 C ATOM 1192 O TYR A 76 -16.879 -13.972 0.140 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.822 -10.694 0.404 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.307 -10.974 0.370 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -18.969 -11.451 1.496 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -19.048 -10.761 -0.785 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.326 -11.708 1.469 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.406 -11.016 -0.819 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.040 -11.489 0.310 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.391 -11.744 0.280 1.00 0.00 O ATOM 0 H TYR A 76 -14.297 -10.713 0.461 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.364 -12.198 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.638 -9.835 1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.490 -10.418 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.413 -11.623 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.555 -10.390 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.825 -12.079 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.968 -10.846 -1.726 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.743 -11.536 -0.611 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.332 -12.982 -1.159 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.350 -14.032 -2.171 1.00 0.00 C ATOM 1212 C GLU A 77 -14.854 -15.352 -1.592 1.00 0.00 C ATOM 1213 O GLU A 77 -15.401 -16.415 -1.886 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.486 -13.630 -3.367 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.118 -12.561 -4.243 1.00 0.00 C ATOM 1216 CD GLU A 77 -16.330 -13.070 -4.999 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -17.406 -13.202 -4.378 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -16.204 -13.335 -6.213 1.00 0.00 O ATOM 0 H GLU A 77 -14.685 -12.218 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.379 -14.165 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.524 -13.268 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.286 -14.513 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.410 -11.714 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.378 -12.195 -4.954 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.814 -15.278 -0.768 1.00 0.00 N ATOM 1226 CA GLY A 78 -13.260 -16.474 -0.160 1.00 0.00 C ATOM 1227 C GLY A 78 -11.826 -16.725 -0.584 1.00 0.00 C ATOM 1228 O GLY A 78 -11.465 -17.846 -0.941 1.00 0.00 O ATOM 0 H GLY A 78 -13.344 -14.410 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.304 -16.381 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.872 -17.334 -0.432 1.00 0.00 H new ATOM 1232 N VAL A 79 -11.008 -15.678 -0.545 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.607 -15.789 -0.929 1.00 0.00 C ATOM 1234 C VAL A 79 -8.705 -15.074 0.073 1.00 0.00 C ATOM 1235 O VAL A 79 -8.701 -13.846 0.154 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.360 -15.203 -2.331 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.944 -15.504 -2.795 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.380 -15.745 -3.322 1.00 0.00 C ATOM 0 H VAL A 79 -11.292 -14.743 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.366 -16.852 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.477 -14.121 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.789 -15.082 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.231 -15.063 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.795 -16.583 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.191 -15.320 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.297 -16.831 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.384 -15.473 -2.996 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.942 -15.851 0.834 1.00 0.00 N ATOM 1249 CA ALA A 80 -7.036 -15.293 1.830 1.00 0.00 C ATOM 1250 C ALA A 80 -5.730 -14.834 1.189 1.00 0.00 C ATOM 1251 O ALA A 80 -5.180 -13.795 1.552 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.759 -16.314 2.923 1.00 0.00 C ATOM 0 H ALA A 80 -7.933 -16.870 0.780 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.518 -14.422 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.081 -15.883 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.695 -16.590 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.302 -17.201 2.485 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.240 -15.616 0.233 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.999 -15.291 -0.459 1.00 0.00 C ATOM 1260 C VAL A 81 -4.249 -14.324 -1.611 1.00 0.00 C ATOM 1261 O VAL A 81 -5.185 -14.501 -2.391 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.311 -16.556 -1.005 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.927 -16.223 -1.542 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.229 -17.627 0.072 1.00 0.00 C ATOM 0 H VAL A 81 -5.684 -16.479 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.344 -14.818 0.273 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.910 -16.946 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.457 -17.129 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.015 -15.494 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.316 -15.807 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.740 -18.513 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.654 -17.249 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.234 -17.887 0.404 1.00 0.00 H new ATOM 1274 N MET A 82 -3.406 -13.302 -1.714 1.00 0.00 N ATOM 1275 CA MET A 82 -3.534 -12.307 -2.772 1.00 0.00 C ATOM 1276 C MET A 82 -2.351 -12.377 -3.732 1.00 0.00 C ATOM 1277 O MET A 82 -1.229 -12.679 -3.327 1.00 0.00 O ATOM 1278 CB MET A 82 -3.636 -10.904 -2.171 1.00 0.00 C ATOM 1279 CG MET A 82 -4.042 -9.838 -3.177 1.00 0.00 C ATOM 1280 SD MET A 82 -4.805 -8.403 -2.397 1.00 0.00 S ATOM 1281 CE MET A 82 -3.789 -7.082 -3.052 1.00 0.00 C ATOM 0 H MET A 82 -2.626 -13.141 -1.077 1.00 0.00 H new ATOM 0 HA MET A 82 -4.445 -12.523 -3.331 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.361 -10.918 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.674 -10.633 -1.736 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.163 -9.518 -3.737 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.738 -10.269 -3.896 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.238 -6.609 -2.239 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.085 -7.490 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.424 -6.342 -3.539 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.610 -12.095 -5.004 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.567 -12.126 -6.023 1.00 0.00 C ATOM 1293 C LYS A 83 -1.057 -10.720 -6.320 1.00 0.00 C ATOM 1294 O LYS A 83 -1.734 -9.929 -6.978 1.00 0.00 O ATOM 1295 CB LYS A 83 -2.096 -12.771 -7.305 1.00 0.00 C ATOM 1296 CG LYS A 83 -1.044 -12.914 -8.394 1.00 0.00 C ATOM 1297 CD LYS A 83 -0.631 -14.366 -8.587 1.00 0.00 C ATOM 1298 CE LYS A 83 0.723 -14.651 -7.955 1.00 0.00 C ATOM 1299 NZ LYS A 83 1.759 -14.962 -8.979 1.00 0.00 N ATOM 0 H LYS A 83 -3.534 -11.842 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.738 -12.721 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.497 -13.756 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.924 -12.174 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.434 -12.518 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.169 -12.317 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.384 -15.021 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.592 -14.595 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.039 -13.788 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.632 -15.489 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.704 -14.785 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.682 -15.961 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.615 -14.357 -9.813 1.00 0.00 H new ATOM 1313 N LEU A 84 0.140 -10.414 -5.832 1.00 0.00 N ATOM 1314 CA LEU A 84 0.741 -9.102 -6.046 1.00 0.00 C ATOM 1315 C LEU A 84 1.974 -9.204 -6.938 1.00 0.00 C ATOM 1316 O LEU A 84 2.831 -10.064 -6.733 1.00 0.00 O ATOM 1317 CB LEU A 84 1.118 -8.466 -4.706 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.053 -7.880 -3.914 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.288 -7.806 -2.435 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.419 -6.503 -4.449 1.00 0.00 C ATOM 0 H LEU A 84 0.714 -11.056 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 84 0.006 -8.472 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.613 -9.218 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.845 -7.675 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.915 -8.536 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.556 -7.387 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.502 -8.807 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.163 -7.171 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.253 -6.100 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.439 -5.837 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.705 -6.584 -5.498 1.00 0.00 H new ATOM 1332 N PHE A 85 2.057 -8.321 -7.927 1.00 0.00 N ATOM 1333 CA PHE A 85 3.185 -8.310 -8.853 1.00 0.00 C ATOM 1334 C PHE A 85 3.316 -9.647 -9.577 1.00 0.00 C ATOM 1335 O PHE A 85 4.393 -9.998 -10.059 1.00 0.00 O ATOM 1336 CB PHE A 85 4.480 -7.994 -8.103 1.00 0.00 C ATOM 1337 CG PHE A 85 4.412 -6.733 -7.290 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.303 -5.498 -7.909 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.456 -6.783 -5.906 1.00 0.00 C ATOM 1340 CE1 PHE A 85 4.240 -4.337 -7.164 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.393 -5.626 -5.154 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.286 -4.401 -5.784 1.00 0.00 C ATOM 0 H PHE A 85 1.356 -7.603 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 85 3.002 -7.535 -9.597 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.721 -8.828 -7.444 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.295 -7.909 -8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.267 -5.443 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.541 -7.738 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.155 -3.381 -7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.427 -5.679 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.238 -3.494 -5.199 1.00 0.00 H new ATOM 1352 N ASP A 86 2.215 -10.390 -9.652 1.00 0.00 N ATOM 1353 CA ASP A 86 2.212 -11.689 -10.319 1.00 0.00 C ATOM 1354 C ASP A 86 3.307 -12.595 -9.766 1.00 0.00 C ATOM 1355 O ASP A 86 3.822 -13.464 -10.469 1.00 0.00 O ATOM 1356 CB ASP A 86 2.397 -11.509 -11.828 1.00 0.00 C ATOM 1357 CG ASP A 86 1.306 -10.658 -12.446 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.263 -11.222 -12.838 1.00 0.00 O ATOM 1359 OD2 ASP A 86 1.494 -9.426 -12.541 1.00 0.00 O ATOM 0 H ASP A 86 1.314 -10.115 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 86 1.249 -12.162 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.366 -11.048 -12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.408 -12.487 -12.309 1.00 0.00 H new ATOM 1364 N ARG A 87 3.659 -12.386 -8.501 1.00 0.00 N ATOM 1365 CA ARG A 87 4.694 -13.186 -7.854 1.00 0.00 C ATOM 1366 C ARG A 87 4.500 -13.205 -6.342 1.00 0.00 C ATOM 1367 O ARG A 87 4.084 -14.213 -5.771 1.00 0.00 O ATOM 1368 CB ARG A 87 6.081 -12.635 -8.197 1.00 0.00 C ATOM 1369 CG ARG A 87 6.740 -13.336 -9.373 1.00 0.00 C ATOM 1370 CD ARG A 87 7.499 -12.354 -10.252 1.00 0.00 C ATOM 1371 NE ARG A 87 8.199 -13.025 -11.346 1.00 0.00 N ATOM 1372 CZ ARG A 87 8.639 -12.403 -12.437 1.00 0.00 C ATOM 1373 NH1 ARG A 87 8.453 -11.097 -12.585 1.00 0.00 N ATOM 1374 NH2 ARG A 87 9.267 -13.088 -13.383 1.00 0.00 N ATOM 0 H ARG A 87 3.244 -11.671 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 87 4.615 -14.208 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.995 -11.572 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.725 -12.726 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.424 -14.101 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.981 -13.846 -9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.803 -11.622 -10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.218 -11.805 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 87 8.360 -14.029 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.971 -10.565 -11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.792 -10.625 -13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.413 -14.092 -13.274 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.604 -12.611 -14.219 1.00 0.00 H new ATOM 1388 N ALA A 88 4.809 -12.084 -5.697 1.00 0.00 N ATOM 1389 CA ALA A 88 4.670 -11.971 -4.251 1.00 0.00 C ATOM 1390 C ALA A 88 3.223 -12.184 -3.818 1.00 0.00 C ATOM 1391 O ALA A 88 2.304 -11.591 -4.381 1.00 0.00 O ATOM 1392 CB ALA A 88 5.172 -10.616 -3.777 1.00 0.00 C ATOM 0 H ALA A 88 5.157 -11.241 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 88 5.276 -12.752 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.062 -10.545 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.223 -10.504 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.591 -9.826 -4.253 1.00 0.00 H new ATOM 1398 N LYS A 89 3.030 -13.032 -2.813 1.00 0.00 N ATOM 1399 CA LYS A 89 1.696 -13.322 -2.301 1.00 0.00 C ATOM 1400 C LYS A 89 1.549 -12.839 -0.862 1.00 0.00 C ATOM 1401 O LYS A 89 2.338 -13.206 0.009 1.00 0.00 O ATOM 1402 CB LYS A 89 1.413 -14.823 -2.380 1.00 0.00 C ATOM 1403 CG LYS A 89 1.054 -15.302 -3.776 1.00 0.00 C ATOM 1404 CD LYS A 89 0.808 -16.802 -3.805 1.00 0.00 C ATOM 1405 CE LYS A 89 0.481 -17.286 -5.209 1.00 0.00 C ATOM 1406 NZ LYS A 89 -0.318 -18.541 -5.191 1.00 0.00 N ATOM 0 H LYS A 89 3.782 -13.531 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 89 0.972 -12.790 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.290 -15.368 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.596 -15.066 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.163 -14.779 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.859 -15.051 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.691 -17.324 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.013 -17.050 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.072 -16.511 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.406 -17.453 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.520 -18.838 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.219 -19.288 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.213 -18.376 -4.687 1.00 0.00 H new ATOM 1420 N VAL A 90 0.537 -12.013 -0.620 1.00 0.00 N ATOM 1421 CA VAL A 90 0.289 -11.479 0.713 1.00 0.00 C ATOM 1422 C VAL A 90 -1.085 -11.895 1.227 1.00 0.00 C ATOM 1423 O VAL A 90 -1.993 -12.176 0.445 1.00 0.00 O ATOM 1424 CB VAL A 90 0.384 -9.942 0.728 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.329 -9.417 2.155 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.654 -9.478 0.030 1.00 0.00 C ATOM 0 H VAL A 90 -0.125 -11.699 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 90 1.058 -11.891 1.366 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.470 -9.539 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.398 -8.329 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.611 -9.717 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.161 -9.828 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.704 -8.389 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.523 -9.891 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.647 -9.821 -1.005 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.229 -11.934 2.548 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.492 -12.315 3.169 1.00 0.00 C ATOM 1438 C ASN A 91 -3.410 -11.106 3.320 1.00 0.00 C ATOM 1439 O ASN A 91 -3.064 -10.132 3.988 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.237 -12.952 4.536 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.304 -13.962 4.912 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -3.850 -13.825 6.115 1.00 0.00 O flip ATOM 1443 ND2 ASN A 91 -3.635 -14.852 4.131 1.00 0.00 N flip ATOM 0 H ASN A 91 -0.486 -11.706 3.209 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.984 -13.042 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.263 -13.442 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.196 -12.171 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.189 -14.920 3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.356 -15.523 4.398 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.581 -11.176 2.696 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.547 -10.086 2.760 1.00 0.00 C ATOM 1452 C VAL A 92 -6.083 -9.905 4.178 1.00 0.00 C ATOM 1453 O VAL A 92 -6.492 -8.809 4.561 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.731 -10.328 1.804 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.648 -9.114 1.768 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.230 -10.667 0.407 1.00 0.00 C ATOM 0 H VAL A 92 -4.884 -11.976 2.140 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.021 -9.181 2.456 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.305 -11.177 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.478 -9.305 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.036 -8.921 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.088 -8.245 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.080 -10.835 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.631 -9.841 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.619 -11.569 0.448 1.00 0.00 H new ATOM 1466 N ASN A 93 -6.080 -10.986 4.952 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.569 -10.944 6.325 1.00 0.00 C ATOM 1468 C ASN A 93 -5.579 -10.230 7.241 1.00 0.00 C ATOM 1469 O ASN A 93 -5.969 -9.627 8.241 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.822 -12.363 6.842 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.197 -12.878 6.465 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -9.150 -12.757 7.234 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.307 -13.459 5.276 1.00 0.00 N ATOM 0 H ASN A 93 -5.744 -11.901 4.652 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.506 -10.386 6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.063 -13.034 6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.717 -12.376 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.208 -13.826 4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.491 -13.538 4.670 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.298 -10.301 6.894 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.256 -9.661 7.691 1.00 0.00 C ATOM 1482 C LEU A 94 -2.816 -8.342 7.063 1.00 0.00 C ATOM 1483 O LEU A 94 -2.378 -7.428 7.761 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.053 -10.596 7.837 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.291 -11.824 8.717 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.440 -12.993 8.245 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -1.994 -11.500 10.173 1.00 0.00 C ATOM 0 H LEU A 94 -3.957 -10.794 6.069 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.668 -9.450 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.751 -10.932 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.219 -10.028 8.249 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.340 -12.109 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.623 -13.857 8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.700 -13.240 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.386 -12.720 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.168 -12.385 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.954 -11.190 10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.647 -10.693 10.507 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.932 -8.250 5.741 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.544 -7.042 5.022 1.00 0.00 C ATOM 1501 C LEU A 95 -3.311 -5.829 5.536 1.00 0.00 C ATOM 1502 O LEU A 95 -2.731 -4.766 5.764 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.788 -7.216 3.522 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.208 -6.110 2.638 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.723 -5.930 2.916 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.444 -6.425 1.169 1.00 0.00 C ATOM 0 H LEU A 95 -3.291 -8.997 5.147 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.481 -6.874 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.364 -8.170 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.863 -7.273 3.349 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.717 -5.175 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.327 -5.140 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.579 -5.659 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.198 -6.862 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.025 -5.628 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.961 -7.369 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.515 -6.504 0.981 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.618 -5.991 5.716 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.463 -4.908 6.202 1.00 0.00 C ATOM 1520 C ILE A 96 -5.225 -4.650 7.686 1.00 0.00 C ATOM 1521 O ILE A 96 -5.352 -3.520 8.158 1.00 0.00 O ATOM 1522 CB ILE A 96 -6.957 -5.216 5.978 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.202 -5.639 4.530 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -7.807 -4.004 6.332 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.493 -6.403 4.334 1.00 0.00 C ATOM 0 H ILE A 96 -5.114 -6.863 5.532 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.195 -4.018 5.633 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.244 -6.040 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.215 -4.751 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.369 -6.257 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.859 -4.237 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.651 -3.744 7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.520 -3.162 5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.601 -6.671 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.475 -7.309 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.334 -5.780 4.638 1.00 0.00 H new ATOM 1537 N PHE A 97 -4.878 -5.704 8.418 1.00 0.00 N ATOM 1538 CA PHE A 97 -4.622 -5.590 9.850 1.00 0.00 C ATOM 1539 C PHE A 97 -3.464 -4.635 10.120 1.00 0.00 C ATOM 1540 O PHE A 97 -3.526 -3.810 11.031 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.313 -6.964 10.445 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.134 -6.946 11.936 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -5.230 -6.840 12.778 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -2.870 -7.035 12.497 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -5.069 -6.824 14.150 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -2.701 -7.019 13.868 1.00 0.00 C ATOM 1547 CZ PHE A 97 -3.802 -6.913 14.695 1.00 0.00 C ATOM 0 H PHE A 97 -4.768 -6.646 8.044 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.519 -5.190 10.324 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.121 -7.650 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.407 -7.355 9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.222 -6.769 12.356 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.006 -7.118 11.854 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.931 -6.742 14.795 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.710 -7.089 14.292 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.673 -6.900 15.767 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.407 -4.752 9.322 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.234 -3.899 9.475 1.00 0.00 C ATOM 1559 C LEU A 98 -1.586 -2.438 9.217 1.00 0.00 C ATOM 1560 O LEU A 98 -1.247 -1.558 10.009 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.126 -4.345 8.520 1.00 0.00 C ATOM 1562 CG LEU A 98 1.275 -3.843 8.873 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.822 -4.592 10.078 1.00 0.00 C ATOM 1564 CD2 LEU A 98 2.209 -3.991 7.681 1.00 0.00 C ATOM 0 H LEU A 98 -2.339 -5.430 8.563 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.879 -3.992 10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.108 -5.434 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.375 -4.004 7.515 1.00 0.00 H new ATOM 0 HG LEU A 98 1.209 -2.785 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.819 -4.222 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.164 -4.435 10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.875 -5.657 9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.202 -3.629 7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.271 -5.041 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.825 -3.409 6.843 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.265 -2.186 8.105 1.00 0.00 N ATOM 1577 CA LEU A 99 -2.663 -0.830 7.740 1.00 0.00 C ATOM 1578 C LEU A 99 -3.748 -0.308 8.678 1.00 0.00 C ATOM 1579 O LEU A 99 -3.863 0.898 8.897 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.164 -0.793 6.295 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.268 -1.505 5.280 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.103 -2.094 4.154 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.224 -0.548 4.728 1.00 0.00 C ATOM 0 H LEU A 99 -2.552 -2.903 7.439 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.788 -0.187 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.156 -1.243 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.275 0.248 5.992 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.752 -2.320 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.450 -2.597 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.813 -2.812 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.646 -1.296 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.595 -1.071 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.721 0.288 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.606 -0.174 5.544 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.543 -1.222 9.225 1.00 0.00 N ATOM 1596 CA ASN A 100 -5.622 -0.856 10.136 1.00 0.00 C ATOM 1597 C ASN A 100 -5.095 -0.065 11.332 1.00 0.00 C ATOM 1598 O ASN A 100 -5.827 0.717 11.940 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.354 -2.110 10.620 1.00 0.00 C ATOM 1600 CG ASN A 100 -7.774 -2.191 10.094 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.439 -1.172 9.911 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.245 -3.408 9.849 1.00 0.00 N ATOM 0 H ASN A 100 -4.460 -2.224 9.053 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.319 -0.221 9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.801 -2.995 10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.372 -2.119 11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.194 -3.526 9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.658 -4.225 10.015 1.00 0.00 H new ATOM 1609 N LYS A 101 -3.826 -0.275 11.670 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.214 0.419 12.798 1.00 0.00 C ATOM 1611 C LYS A 101 -2.118 1.376 12.335 1.00 0.00 C ATOM 1612 O LYS A 101 -1.828 2.369 13.002 1.00 0.00 O ATOM 1613 CB LYS A 101 -2.638 -0.595 13.791 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.132 -0.401 15.215 1.00 0.00 C ATOM 1615 CD LYS A 101 -4.224 -1.400 15.571 1.00 0.00 C ATOM 1616 CE LYS A 101 -3.913 -2.131 16.867 1.00 0.00 C ATOM 1617 NZ LYS A 101 -4.664 -1.563 18.021 1.00 0.00 N ATOM 0 H LYS A 101 -3.203 -0.918 11.181 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.989 1.006 13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.895 -1.601 13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.550 -0.524 13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.298 -0.511 15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.513 0.613 15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.177 -0.880 15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.334 -2.123 14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.162 -3.187 16.757 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.843 -2.075 17.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.423 -2.090 18.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.408 -0.562 18.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.686 -1.640 17.842 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.507 1.069 11.196 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.439 1.903 10.655 1.00 0.00 C ATOM 1633 C LYS A 102 -0.986 3.211 10.092 1.00 0.00 C ATOM 1634 O LYS A 102 -0.754 4.283 10.652 1.00 0.00 O ATOM 1635 CB LYS A 102 0.323 1.147 9.564 1.00 0.00 C ATOM 1636 CG LYS A 102 1.292 0.110 10.105 1.00 0.00 C ATOM 1637 CD LYS A 102 2.287 0.729 11.072 1.00 0.00 C ATOM 1638 CE LYS A 102 3.611 -0.016 11.064 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.545 0.499 12.102 1.00 0.00 N ATOM 0 H LYS A 102 -1.732 0.251 10.630 1.00 0.00 H new ATOM 0 HA LYS A 102 0.242 2.142 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.394 0.654 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.874 1.863 8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.736 -0.681 10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.828 -0.355 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.454 1.772 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.870 0.721 12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.431 -1.078 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.074 0.077 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.436 -0.036 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.738 1.506 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.115 0.387 13.042 1.00 0.00 H new ATOM 1653 N PHE A 103 -1.701 3.118 8.976 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.269 4.296 8.331 1.00 0.00 C ATOM 1655 C PHE A 103 -3.643 4.637 8.902 1.00 0.00 C ATOM 1656 O PHE A 103 -3.948 5.803 9.152 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.372 4.072 6.822 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.063 3.713 6.179 1.00 0.00 C ATOM 1659 CD1 PHE A 103 0.048 4.523 6.342 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.943 2.562 5.415 1.00 0.00 C ATOM 1661 CE1 PHE A 103 1.255 4.195 5.754 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.261 2.230 4.824 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.361 3.047 4.993 1.00 0.00 C ATOM 0 H PHE A 103 -1.901 2.239 8.499 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.604 5.137 8.527 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.093 3.277 6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.762 4.976 6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.029 5.422 6.936 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.800 1.918 5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.114 4.835 5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.342 1.332 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.303 2.789 4.531 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.470 3.617 9.106 1.00 0.00 N ATOM 1674 CA TYR A 104 -5.812 3.817 9.645 1.00 0.00 C ATOM 1675 C TYR A 104 -5.770 4.614 10.946 1.00 0.00 C ATOM 1676 O TYR A 104 -5.091 4.231 11.899 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.498 2.468 9.878 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.686 2.228 8.975 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -7.518 2.049 7.608 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -8.976 2.182 9.490 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -8.603 1.830 6.779 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -10.064 1.964 8.668 1.00 0.00 C ATOM 1683 CZ TYR A 104 -9.873 1.788 7.314 1.00 0.00 C ATOM 1684 OH TYR A 104 -10.955 1.571 6.491 1.00 0.00 O ATOM 0 H TYR A 104 -4.236 2.644 8.907 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.386 4.387 8.914 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.771 1.670 9.728 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.824 2.411 10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.524 2.081 7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.130 2.319 10.550 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.456 1.693 5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -11.060 1.932 9.084 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.856 0.706 6.041 1.00 0.00 H new