USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 719 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -148:sc= -4.01! (180deg=-6.65!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -6.86! C(o=-6.9!,f=-11!) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.957 USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.024 (180deg=-0.234) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.41 X(o=-1.4,f=-1) USER MOD Single : A 23 MET CE :methyl 152:sc= -23! (180deg=-26.8!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 73:sc= 1.17 USER MOD Single : A 33 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.31 X(o=-2.3,f=-2.4) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 105:sc= 0.583 USER MOD Single : A 43 MET CE :methyl -151:sc= -15.5! (180deg=-18.6!) USER MOD Single : A 46 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.00788 X(o=0.0079,f=-0.0049) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -4.94! C(o=-4.9!,f=-9.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -147:sc= -8.06! (180deg=-9.24!) USER MOD Single : A 65 GLN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.302 X(o=0.3,f=-0.0037) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -113:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 90:sc= -2 USER MOD Single : A 89 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 68 N TYR A 7 -1.135 1.044 10.599 1.00 0.00 N ATOM 69 CA TYR A 7 -0.506 -0.117 9.993 1.00 0.00 C ATOM 70 C TYR A 7 -1.313 -1.374 10.275 1.00 0.00 C ATOM 71 O TYR A 7 -1.634 -2.130 9.361 1.00 0.00 O ATOM 72 CB TYR A 7 0.922 -0.286 10.511 1.00 0.00 C ATOM 73 CG TYR A 7 1.888 0.752 9.985 1.00 0.00 C ATOM 74 CD1 TYR A 7 1.833 2.070 10.422 1.00 0.00 C ATOM 75 CD2 TYR A 7 2.858 0.413 9.049 1.00 0.00 C ATOM 76 CE1 TYR A 7 2.715 3.019 9.942 1.00 0.00 C ATOM 77 CE2 TYR A 7 3.743 1.356 8.564 1.00 0.00 C ATOM 78 CZ TYR A 7 3.668 2.657 9.013 1.00 0.00 C ATOM 79 OH TYR A 7 4.548 3.600 8.532 1.00 0.00 O ATOM 0 HA TYR A 7 -0.472 0.041 8.915 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.911 -0.240 11.600 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.283 -1.277 10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.088 2.357 11.149 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.921 -0.605 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.658 4.039 10.292 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.490 1.075 7.836 1.00 0.00 H new ATOM 0 HH TYR A 7 5.155 3.182 7.886 1.00 0.00 H new ATOM 89 N GLU A 8 -1.645 -1.594 11.543 1.00 0.00 N ATOM 90 CA GLU A 8 -2.421 -2.764 11.931 1.00 0.00 C ATOM 91 C GLU A 8 -3.691 -2.873 11.092 1.00 0.00 C ATOM 92 O GLU A 8 -4.200 -3.969 10.858 1.00 0.00 O ATOM 93 CB GLU A 8 -2.766 -2.709 13.419 1.00 0.00 C ATOM 94 CG GLU A 8 -1.933 -3.662 14.261 1.00 0.00 C ATOM 95 CD GLU A 8 -1.102 -2.945 15.308 1.00 0.00 C ATOM 96 OE1 GLU A 8 -1.690 -2.219 16.137 1.00 0.00 O ATOM 97 OE2 GLU A 8 0.136 -3.109 15.298 1.00 0.00 O ATOM 0 H GLU A 8 -1.390 -0.979 12.316 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.814 -3.651 11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.621 -1.692 13.782 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.822 -2.946 13.550 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.593 -4.376 14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.273 -4.234 13.609 1.00 0.00 H new ATOM 104 N LEU A 9 -4.188 -1.730 10.626 1.00 0.00 N ATOM 105 CA LEU A 9 -5.386 -1.705 9.797 1.00 0.00 C ATOM 106 C LEU A 9 -5.113 -2.401 8.469 1.00 0.00 C ATOM 107 O LEU A 9 -5.578 -3.519 8.230 1.00 0.00 O ATOM 108 CB LEU A 9 -5.842 -0.264 9.555 1.00 0.00 C ATOM 109 CG LEU A 9 -6.088 0.558 10.821 1.00 0.00 C ATOM 110 CD1 LEU A 9 -6.622 1.937 10.467 1.00 0.00 C ATOM 111 CD2 LEU A 9 -7.052 -0.167 11.748 1.00 0.00 C ATOM 0 H LEU A 9 -3.780 -0.813 10.808 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.183 -2.235 10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.089 0.243 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.760 -0.283 8.968 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.138 0.682 11.341 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.791 2.507 11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.897 2.459 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.562 1.835 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.216 0.432 12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.002 -0.322 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.630 -1.132 12.029 1.00 0.00 H new ATOM 123 N PHE A 10 -4.334 -1.749 7.608 1.00 0.00 N ATOM 124 CA PHE A 10 -3.993 -2.333 6.325 1.00 0.00 C ATOM 125 C PHE A 10 -3.263 -3.653 6.535 1.00 0.00 C ATOM 126 O PHE A 10 -3.352 -4.569 5.719 1.00 0.00 O ATOM 127 CB PHE A 10 -3.156 -1.355 5.492 1.00 0.00 C ATOM 128 CG PHE A 10 -1.719 -1.186 5.922 1.00 0.00 C ATOM 129 CD1 PHE A 10 -0.832 -2.254 5.912 1.00 0.00 C ATOM 130 CD2 PHE A 10 -1.251 0.059 6.313 1.00 0.00 C ATOM 131 CE1 PHE A 10 0.487 -2.083 6.284 1.00 0.00 C ATOM 132 CE2 PHE A 10 0.067 0.234 6.688 1.00 0.00 C ATOM 133 CZ PHE A 10 0.937 -0.837 6.673 1.00 0.00 C ATOM 0 H PHE A 10 -3.934 -0.826 7.778 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.909 -2.534 5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.168 -1.689 4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.640 -0.379 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.178 -3.231 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.925 0.903 6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.166 -2.923 6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.417 1.209 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.968 -0.701 6.965 1.00 0.00 H new ATOM 143 N MET A 11 -2.556 -3.744 7.657 1.00 0.00 N ATOM 144 CA MET A 11 -1.822 -4.952 8.014 1.00 0.00 C ATOM 145 C MET A 11 -2.723 -6.171 7.856 1.00 0.00 C ATOM 146 O MET A 11 -2.372 -7.136 7.180 1.00 0.00 O ATOM 147 CB MET A 11 -1.320 -4.846 9.459 1.00 0.00 C ATOM 148 CG MET A 11 -0.685 -6.120 9.997 1.00 0.00 C ATOM 149 SD MET A 11 1.107 -6.126 9.820 1.00 0.00 S ATOM 150 CE MET A 11 1.261 -5.898 8.052 1.00 0.00 C ATOM 0 H MET A 11 -2.476 -2.989 8.339 1.00 0.00 H new ATOM 0 HA MET A 11 -0.964 -5.061 7.350 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.592 -4.037 9.520 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.156 -4.571 10.102 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.943 -6.234 11.050 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.102 -6.979 9.472 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.152 -6.415 7.695 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.381 -6.305 7.555 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.345 -4.835 7.828 1.00 0.00 H new ATOM 160 N LYS A 12 -3.897 -6.105 8.471 1.00 0.00 N ATOM 161 CA LYS A 12 -4.859 -7.191 8.385 1.00 0.00 C ATOM 162 C LYS A 12 -5.328 -7.363 6.946 1.00 0.00 C ATOM 163 O LYS A 12 -5.687 -8.462 6.527 1.00 0.00 O ATOM 164 CB LYS A 12 -6.056 -6.917 9.299 1.00 0.00 C ATOM 165 CG LYS A 12 -5.670 -6.664 10.748 1.00 0.00 C ATOM 166 CD LYS A 12 -5.798 -7.925 11.590 1.00 0.00 C ATOM 167 CE LYS A 12 -6.771 -7.731 12.742 1.00 0.00 C ATOM 168 NZ LYS A 12 -6.303 -8.402 13.987 1.00 0.00 N ATOM 0 H LYS A 12 -4.204 -5.311 9.033 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.375 -8.111 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.601 -6.052 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.737 -7.767 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.644 -6.298 10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.306 -5.882 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.136 -8.750 10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.820 -8.203 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.901 -6.665 12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.748 -8.126 12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.995 -8.245 14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.203 -9.423 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.383 -8.007 14.269 1.00 0.00 H new ATOM 182 N SER A 13 -5.322 -6.264 6.192 1.00 0.00 N ATOM 183 CA SER A 13 -5.748 -6.292 4.795 1.00 0.00 C ATOM 184 C SER A 13 -4.730 -7.021 3.914 1.00 0.00 C ATOM 185 O SER A 13 -4.973 -8.145 3.475 1.00 0.00 O ATOM 186 CB SER A 13 -5.965 -4.868 4.276 1.00 0.00 C ATOM 187 OG SER A 13 -7.230 -4.366 4.673 1.00 0.00 O ATOM 0 H SER A 13 -5.027 -5.346 6.525 1.00 0.00 H new ATOM 0 HA SER A 13 -6.690 -6.839 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.177 -4.216 4.654 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.892 -4.859 3.188 1.00 0.00 H new ATOM 0 HG SER A 13 -7.343 -3.455 4.330 1.00 0.00 H new ATOM 193 N LEU A 14 -3.592 -6.376 3.654 1.00 0.00 N ATOM 194 CA LEU A 14 -2.543 -6.961 2.822 1.00 0.00 C ATOM 195 C LEU A 14 -2.244 -8.406 3.232 1.00 0.00 C ATOM 196 O LEU A 14 -2.336 -9.323 2.420 1.00 0.00 O ATOM 197 CB LEU A 14 -1.270 -6.115 2.930 1.00 0.00 C ATOM 198 CG LEU A 14 0.044 -6.812 2.569 1.00 0.00 C ATOM 199 CD1 LEU A 14 0.578 -7.608 3.748 1.00 0.00 C ATOM 200 CD2 LEU A 14 -0.123 -7.708 1.349 1.00 0.00 C ATOM 0 H LEU A 14 -3.374 -5.445 4.010 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.893 -6.971 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.383 -5.244 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.191 -5.746 3.953 1.00 0.00 H new ATOM 0 HG LEU A 14 0.770 -6.038 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.512 -8.094 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.757 -6.937 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.152 -8.365 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.828 -8.189 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.874 -8.470 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.442 -7.107 0.497 1.00 0.00 H new ATOM 212 N ILE A 15 -1.864 -8.599 4.493 1.00 0.00 N ATOM 213 CA ILE A 15 -1.528 -9.929 4.996 1.00 0.00 C ATOM 214 C ILE A 15 -2.589 -10.959 4.610 1.00 0.00 C ATOM 215 O ILE A 15 -2.262 -12.047 4.130 1.00 0.00 O ATOM 216 CB ILE A 15 -1.327 -9.915 6.526 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.172 -8.977 6.889 1.00 0.00 C ATOM 218 CG2 ILE A 15 -1.053 -11.320 7.049 1.00 0.00 C ATOM 219 CD1 ILE A 15 0.241 -9.049 8.344 1.00 0.00 C ATOM 0 H ILE A 15 -1.781 -7.853 5.184 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.587 -10.220 4.528 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.242 -9.552 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.689 -9.217 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.461 -7.953 6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.915 -11.285 8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.897 -11.968 6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.151 -11.713 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.064 -8.357 8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.605 -8.779 8.976 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.562 -10.063 8.581 1.00 0.00 H new ATOM 231 N GLU A 16 -3.859 -10.610 4.792 1.00 0.00 N ATOM 232 CA GLU A 16 -4.939 -11.505 4.431 1.00 0.00 C ATOM 233 C GLU A 16 -4.820 -11.865 2.953 1.00 0.00 C ATOM 234 O GLU A 16 -5.110 -12.992 2.539 1.00 0.00 O ATOM 235 CB GLU A 16 -6.281 -10.833 4.739 1.00 0.00 C ATOM 236 CG GLU A 16 -7.328 -10.990 3.651 1.00 0.00 C ATOM 237 CD GLU A 16 -7.721 -12.436 3.417 1.00 0.00 C ATOM 238 OE1 GLU A 16 -7.087 -13.329 4.018 1.00 0.00 O ATOM 239 OE2 GLU A 16 -8.663 -12.674 2.632 1.00 0.00 O ATOM 0 H GLU A 16 -4.158 -9.718 5.185 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.880 -12.425 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.675 -11.246 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.110 -9.770 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.215 -10.417 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.946 -10.567 2.722 1.00 0.00 H new ATOM 246 N ASN A 17 -4.364 -10.897 2.163 1.00 0.00 N ATOM 247 CA ASN A 17 -4.181 -11.109 0.739 1.00 0.00 C ATOM 248 C ASN A 17 -3.290 -12.316 0.507 1.00 0.00 C ATOM 249 O ASN A 17 -3.628 -13.196 -0.275 1.00 0.00 O ATOM 250 CB ASN A 17 -3.576 -9.875 0.076 1.00 0.00 C ATOM 251 CG ASN A 17 -3.622 -9.941 -1.437 1.00 0.00 C ATOM 252 OD1 ASN A 17 -3.572 -11.018 -2.025 1.00 0.00 O ATOM 253 ND2 ASN A 17 -3.717 -8.781 -2.075 1.00 0.00 N ATOM 0 H ASN A 17 -4.116 -9.962 2.488 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.158 -11.291 0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.111 -8.987 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.541 -9.765 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.751 -8.761 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.756 -7.910 -1.546 1.00 0.00 H new ATOM 260 N CYS A 18 -2.161 -12.362 1.215 1.00 0.00 N ATOM 261 CA CYS A 18 -1.230 -13.481 1.101 1.00 0.00 C ATOM 262 C CYS A 18 -1.968 -14.799 1.281 1.00 0.00 C ATOM 263 O CYS A 18 -1.694 -15.781 0.595 1.00 0.00 O ATOM 264 CB CYS A 18 -0.119 -13.362 2.144 1.00 0.00 C ATOM 265 SG CYS A 18 1.110 -14.686 2.070 1.00 0.00 S ATOM 0 H CYS A 18 -1.871 -11.638 1.872 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.782 -13.456 0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.386 -12.405 2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.568 -13.353 3.137 1.00 0.00 H new ATOM 0 HG CYS A 18 2.009 -14.496 2.990 1.00 0.00 H new ATOM 271 N LYS A 19 -2.916 -14.808 2.199 1.00 0.00 N ATOM 272 CA LYS A 19 -3.712 -15.997 2.450 1.00 0.00 C ATOM 273 C LYS A 19 -4.981 -15.995 1.596 1.00 0.00 C ATOM 274 O LYS A 19 -5.880 -16.805 1.822 1.00 0.00 O ATOM 275 CB LYS A 19 -4.077 -16.089 3.933 1.00 0.00 C ATOM 276 CG LYS A 19 -3.218 -17.073 4.711 1.00 0.00 C ATOM 277 CD LYS A 19 -1.784 -16.584 4.836 1.00 0.00 C ATOM 278 CE LYS A 19 -0.861 -17.310 3.870 1.00 0.00 C ATOM 279 NZ LYS A 19 -0.682 -18.741 4.243 1.00 0.00 N ATOM 0 H LYS A 19 -3.154 -14.007 2.783 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.116 -16.868 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.982 -15.101 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.123 -16.382 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.641 -17.220 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.231 -18.042 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.746 -15.512 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.435 -16.735 5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.268 -17.246 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.110 -16.815 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.191 -19.106 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.617 -18.825 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.495 -19.293 3.902 1.00 0.00 H new ATOM 293 N LYS A 20 -5.082 -15.059 0.643 1.00 0.00 N ATOM 294 CA LYS A 20 -6.287 -14.965 -0.177 1.00 0.00 C ATOM 295 C LYS A 20 -6.212 -15.702 -1.502 1.00 0.00 C ATOM 296 O LYS A 20 -7.065 -16.547 -1.777 1.00 0.00 O ATOM 297 CB LYS A 20 -6.741 -13.499 -0.343 1.00 0.00 C ATOM 298 CG LYS A 20 -6.133 -12.743 -1.525 1.00 0.00 C ATOM 299 CD LYS A 20 -7.183 -11.916 -2.251 1.00 0.00 C ATOM 300 CE LYS A 20 -7.819 -10.886 -1.330 1.00 0.00 C ATOM 301 NZ LYS A 20 -9.283 -10.754 -1.571 1.00 0.00 N ATOM 0 H LYS A 20 -4.359 -14.372 0.427 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.059 -15.497 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.826 -13.484 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.500 -12.958 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.335 -12.091 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.681 -13.452 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.725 -11.411 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.955 -12.575 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.646 -11.171 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.338 -9.919 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.679 -10.043 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.448 -10.457 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.746 -11.670 -1.404 1.00 0.00 H new ATOM 315 N ARG A 21 -5.213 -15.433 -2.313 1.00 0.00 N ATOM 316 CA ARG A 21 -5.102 -16.148 -3.573 1.00 0.00 C ATOM 317 C ARG A 21 -4.347 -17.449 -3.339 1.00 0.00 C ATOM 318 O ARG A 21 -3.864 -18.082 -4.277 1.00 0.00 O ATOM 319 CB ARG A 21 -4.415 -15.293 -4.638 1.00 0.00 C ATOM 320 CG ARG A 21 -4.874 -15.599 -6.053 1.00 0.00 C ATOM 321 CD ARG A 21 -3.926 -15.012 -7.086 1.00 0.00 C ATOM 322 NE ARG A 21 -4.568 -14.846 -8.388 1.00 0.00 N ATOM 323 CZ ARG A 21 -5.407 -13.854 -8.679 1.00 0.00 C ATOM 324 NH1 ARG A 21 -5.708 -12.940 -7.766 1.00 0.00 N ATOM 325 NH2 ARG A 21 -5.947 -13.777 -9.888 1.00 0.00 N ATOM 0 H ARG A 21 -4.482 -14.744 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.101 -16.374 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.603 -14.241 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.337 -15.444 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.940 -16.678 -6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.875 -15.197 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.562 -14.046 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.057 -15.662 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.361 -15.530 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.296 -12.995 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.351 -12.183 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.719 -14.477 -10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.590 -13.017 -10.112 1.00 0.00 H new ATOM 339 N ASN A 22 -4.254 -17.827 -2.056 1.00 0.00 N ATOM 340 CA ASN A 22 -3.571 -19.028 -1.622 1.00 0.00 C ATOM 341 C ASN A 22 -2.069 -18.788 -1.531 1.00 0.00 C ATOM 342 O ASN A 22 -1.296 -19.739 -1.620 1.00 0.00 O ATOM 343 CB ASN A 22 -3.876 -20.190 -2.565 1.00 0.00 C ATOM 344 CG ASN A 22 -3.239 -21.492 -2.118 1.00 0.00 C ATOM 345 OD1 ASN A 22 -3.689 -22.120 -1.160 1.00 0.00 O ATOM 346 ND2 ASN A 22 -2.184 -21.904 -2.813 1.00 0.00 N ATOM 0 H ASN A 22 -4.661 -17.291 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.935 -19.290 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.956 -20.323 -2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.522 -19.942 -3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.714 -22.773 -2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.845 -21.352 -3.600 1.00 0.00 H new ATOM 353 N MET A 23 -1.665 -17.510 -1.329 1.00 0.00 N ATOM 354 CA MET A 23 -0.240 -17.130 -1.201 1.00 0.00 C ATOM 355 C MET A 23 0.202 -15.811 -1.896 1.00 0.00 C ATOM 356 O MET A 23 1.386 -15.694 -2.198 1.00 0.00 O ATOM 357 CB MET A 23 0.645 -18.244 -1.743 1.00 0.00 C ATOM 358 CG MET A 23 0.819 -18.234 -3.265 1.00 0.00 C ATOM 359 SD MET A 23 -0.725 -18.489 -4.174 1.00 0.00 S ATOM 360 CE MET A 23 -1.508 -16.875 -4.056 1.00 0.00 C ATOM 0 H MET A 23 -2.310 -16.724 -1.251 1.00 0.00 H new ATOM 0 HA MET A 23 -0.123 -16.961 -0.130 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.628 -18.169 -1.277 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.223 -19.204 -1.445 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.255 -17.281 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.529 -19.012 -3.546 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.155 -16.720 -4.920 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.103 -16.825 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.742 -16.100 -4.033 1.00 0.00 H new ATOM 370 N PRO A 24 -0.663 -14.798 -2.174 1.00 0.00 N ATOM 371 CA PRO A 24 -0.202 -13.556 -2.832 1.00 0.00 C ATOM 372 C PRO A 24 0.981 -12.925 -2.113 1.00 0.00 C ATOM 373 O PRO A 24 0.849 -11.893 -1.459 1.00 0.00 O ATOM 374 CB PRO A 24 -1.421 -12.641 -2.763 1.00 0.00 C ATOM 375 CG PRO A 24 -2.557 -13.587 -2.756 1.00 0.00 C ATOM 376 CD PRO A 24 -2.104 -14.736 -1.897 1.00 0.00 C ATOM 0 HA PRO A 24 0.149 -13.740 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.408 -12.021 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.466 -11.965 -3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.455 -13.122 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.799 -13.920 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.306 -14.556 -0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.608 -15.665 -2.164 1.00 0.00 H new ATOM 384 N LEU A 25 2.131 -13.571 -2.238 1.00 0.00 N ATOM 385 CA LEU A 25 3.366 -13.127 -1.609 1.00 0.00 C ATOM 386 C LEU A 25 4.354 -14.277 -1.601 1.00 0.00 C ATOM 387 O LEU A 25 5.481 -14.161 -2.083 1.00 0.00 O ATOM 388 CB LEU A 25 3.114 -12.665 -0.164 1.00 0.00 C ATOM 389 CG LEU A 25 2.980 -11.155 0.016 1.00 0.00 C ATOM 390 CD1 LEU A 25 1.815 -10.817 0.936 1.00 0.00 C ATOM 391 CD2 LEU A 25 4.263 -10.555 0.560 1.00 0.00 C ATOM 0 H LEU A 25 2.234 -14.426 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 25 3.764 -12.285 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.204 -13.141 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.932 -13.019 0.463 1.00 0.00 H new ATOM 0 HG LEU A 25 2.785 -10.723 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.741 -9.735 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.889 -11.201 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.979 -11.272 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.140 -9.479 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.493 -11.003 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.080 -10.752 -0.134 1.00 0.00 H new ATOM 403 N GLN A 26 3.912 -15.386 -1.017 1.00 0.00 N ATOM 404 CA GLN A 26 4.726 -16.585 -0.892 1.00 0.00 C ATOM 405 C GLN A 26 5.810 -16.364 0.151 1.00 0.00 C ATOM 406 O GLN A 26 6.558 -17.283 0.486 1.00 0.00 O ATOM 407 CB GLN A 26 5.348 -16.970 -2.239 1.00 0.00 C ATOM 408 CG GLN A 26 4.762 -18.240 -2.832 1.00 0.00 C ATOM 409 CD GLN A 26 5.622 -18.818 -3.938 1.00 0.00 C ATOM 410 OE1 GLN A 26 6.598 -19.522 -3.677 1.00 0.00 O ATOM 411 NE2 GLN A 26 5.265 -18.522 -5.182 1.00 0.00 N ATOM 0 H GLN A 26 2.978 -15.477 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 26 4.086 -17.408 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.207 -16.150 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.423 -17.100 -2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.643 -18.983 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.767 -18.028 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.449 -17.935 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.807 -18.882 -5.967 1.00 0.00 H new ATOM 420 N SER A 27 5.880 -15.127 0.655 1.00 0.00 N ATOM 421 CA SER A 27 6.860 -14.732 1.658 1.00 0.00 C ATOM 422 C SER A 27 7.192 -13.259 1.495 1.00 0.00 C ATOM 423 O SER A 27 7.796 -12.861 0.499 1.00 0.00 O ATOM 424 CB SER A 27 8.138 -15.546 1.517 1.00 0.00 C ATOM 425 OG SER A 27 8.105 -16.704 2.334 1.00 0.00 O ATOM 0 H SER A 27 5.253 -14.373 0.374 1.00 0.00 H new ATOM 0 HA SER A 27 6.432 -14.914 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.273 -15.837 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.995 -14.931 1.790 1.00 0.00 H new ATOM 0 HG SER A 27 7.487 -17.359 1.948 1.00 0.00 H new ATOM 431 N ILE A 28 6.796 -12.450 2.466 1.00 0.00 N ATOM 432 CA ILE A 28 7.055 -11.027 2.419 1.00 0.00 C ATOM 433 C ILE A 28 8.505 -10.742 2.025 1.00 0.00 C ATOM 434 O ILE A 28 9.437 -11.172 2.704 1.00 0.00 O ATOM 435 CB ILE A 28 6.732 -10.387 3.778 1.00 0.00 C ATOM 436 CG1 ILE A 28 5.227 -10.257 3.948 1.00 0.00 C ATOM 437 CG2 ILE A 28 7.377 -9.026 3.910 1.00 0.00 C ATOM 438 CD1 ILE A 28 4.468 -11.551 3.792 1.00 0.00 C ATOM 0 H ILE A 28 6.293 -12.760 3.297 1.00 0.00 H new ATOM 0 HA ILE A 28 6.410 -10.588 1.658 1.00 0.00 H new ATOM 0 HB ILE A 28 7.134 -11.034 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.019 -9.845 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.852 -9.540 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.130 -8.599 4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.459 -9.126 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.008 -8.370 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.402 -11.367 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.641 -11.956 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.811 -12.266 4.539 1.00 0.00 H new ATOM 450 N PRO A 29 8.712 -10.017 0.911 1.00 0.00 N ATOM 451 CA PRO A 29 10.046 -9.684 0.421 1.00 0.00 C ATOM 452 C PRO A 29 10.621 -8.435 1.078 1.00 0.00 C ATOM 453 O PRO A 29 11.426 -7.731 0.470 1.00 0.00 O ATOM 454 CB PRO A 29 9.795 -9.435 -1.063 1.00 0.00 C ATOM 455 CG PRO A 29 8.427 -8.847 -1.109 1.00 0.00 C ATOM 456 CD PRO A 29 7.658 -9.470 0.030 1.00 0.00 C ATOM 0 HA PRO A 29 10.773 -10.467 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.535 -8.754 -1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.850 -10.360 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.466 -7.763 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.946 -9.058 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.046 -8.733 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.985 -10.252 -0.322 1.00 0.00 H new ATOM 464 N GLU A 30 10.194 -8.170 2.317 1.00 0.00 N ATOM 465 CA GLU A 30 10.644 -7.001 3.085 1.00 0.00 C ATOM 466 C GLU A 30 11.639 -6.155 2.295 1.00 0.00 C ATOM 467 O GLU A 30 12.853 -6.283 2.458 1.00 0.00 O ATOM 468 CB GLU A 30 11.282 -7.442 4.406 1.00 0.00 C ATOM 469 CG GLU A 30 10.307 -8.097 5.369 1.00 0.00 C ATOM 470 CD GLU A 30 10.795 -8.065 6.805 1.00 0.00 C ATOM 471 OE1 GLU A 30 12.026 -8.072 7.014 1.00 0.00 O ATOM 472 OE2 GLU A 30 9.945 -8.033 7.720 1.00 0.00 O ATOM 0 H GLU A 30 9.527 -8.758 2.817 1.00 0.00 H new ATOM 0 HA GLU A 30 9.765 -6.390 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.092 -8.140 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.729 -6.574 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.344 -7.591 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.144 -9.132 5.067 1.00 0.00 H new ATOM 479 N ILE A 31 11.110 -5.308 1.426 1.00 0.00 N ATOM 480 CA ILE A 31 11.935 -4.449 0.584 1.00 0.00 C ATOM 481 C ILE A 31 12.368 -3.199 1.336 1.00 0.00 C ATOM 482 O ILE A 31 11.696 -2.168 1.296 1.00 0.00 O ATOM 483 CB ILE A 31 11.185 -4.041 -0.703 1.00 0.00 C ATOM 484 CG1 ILE A 31 10.165 -5.120 -1.085 1.00 0.00 C ATOM 485 CG2 ILE A 31 12.165 -3.793 -1.849 1.00 0.00 C ATOM 486 CD1 ILE A 31 8.773 -4.851 -0.558 1.00 0.00 C ATOM 0 H ILE A 31 10.106 -5.195 1.283 1.00 0.00 H new ATOM 0 HA ILE A 31 12.820 -5.023 0.309 1.00 0.00 H new ATOM 0 HB ILE A 31 10.652 -3.110 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.124 -5.201 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.508 -6.083 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.613 -3.507 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.851 -2.992 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.731 -4.703 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.105 -5.655 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.800 -4.800 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.410 -3.904 -0.957 1.00 0.00 H new ATOM 498 N GLY A 32 13.498 -3.304 2.023 1.00 0.00 N ATOM 499 CA GLY A 32 14.016 -2.185 2.784 1.00 0.00 C ATOM 500 C GLY A 32 14.906 -2.629 3.927 1.00 0.00 C ATOM 501 O GLY A 32 16.129 -2.509 3.854 1.00 0.00 O ATOM 0 H GLY A 32 14.067 -4.149 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.580 -1.528 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.185 -1.602 3.179 1.00 0.00 H new ATOM 505 N ASN A 33 14.287 -3.146 4.982 1.00 0.00 N ATOM 506 CA ASN A 33 15.021 -3.617 6.156 1.00 0.00 C ATOM 507 C ASN A 33 14.063 -4.104 7.240 1.00 0.00 C ATOM 508 O ASN A 33 14.354 -5.065 7.953 1.00 0.00 O ATOM 509 CB ASN A 33 15.909 -2.502 6.716 1.00 0.00 C ATOM 510 CG ASN A 33 16.743 -2.961 7.896 1.00 0.00 C ATOM 511 OD1 ASN A 33 16.235 -3.591 8.824 1.00 0.00 O ATOM 512 ND2 ASN A 33 18.033 -2.647 7.866 1.00 0.00 N ATOM 0 H ASN A 33 13.275 -3.251 5.051 1.00 0.00 H new ATOM 0 HA ASN A 33 15.649 -4.452 5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.569 -2.138 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 33 15.284 -1.663 7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.645 -2.929 8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.412 -2.124 7.077 1.00 0.00 H new ATOM 519 N ARG A 34 12.923 -3.433 7.360 1.00 0.00 N ATOM 520 CA ARG A 34 11.922 -3.793 8.359 1.00 0.00 C ATOM 521 C ARG A 34 10.608 -4.189 7.691 1.00 0.00 C ATOM 522 O ARG A 34 10.556 -4.381 6.476 1.00 0.00 O ATOM 523 CB ARG A 34 11.695 -2.626 9.329 1.00 0.00 C ATOM 524 CG ARG A 34 11.531 -1.275 8.646 1.00 0.00 C ATOM 525 CD ARG A 34 10.101 -1.049 8.183 1.00 0.00 C ATOM 526 NE ARG A 34 10.044 -0.352 6.901 1.00 0.00 N ATOM 527 CZ ARG A 34 10.424 0.911 6.726 1.00 0.00 C ATOM 528 NH1 ARG A 34 10.888 1.620 7.749 1.00 0.00 N ATOM 529 NH2 ARG A 34 10.341 1.469 5.526 1.00 0.00 N ATOM 0 H ARG A 34 12.668 -2.636 6.777 1.00 0.00 H new ATOM 0 HA ARG A 34 12.292 -4.650 8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.806 -2.830 9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.536 -2.572 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.820 -0.481 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.204 -1.215 7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.592 -2.009 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.564 -0.470 8.934 1.00 0.00 H new ATOM 0 HE ARG A 34 9.692 -0.864 6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.954 1.197 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.178 2.588 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.986 0.930 4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.632 2.437 5.393 1.00 0.00 H new ATOM 543 N LYS A 35 9.548 -4.313 8.490 1.00 0.00 N ATOM 544 CA LYS A 35 8.232 -4.687 7.976 1.00 0.00 C ATOM 545 C LYS A 35 7.904 -3.927 6.694 1.00 0.00 C ATOM 546 O LYS A 35 8.089 -2.712 6.615 1.00 0.00 O ATOM 547 CB LYS A 35 7.156 -4.419 9.030 1.00 0.00 C ATOM 548 CG LYS A 35 5.765 -4.860 8.604 1.00 0.00 C ATOM 549 CD LYS A 35 5.474 -6.285 9.045 1.00 0.00 C ATOM 550 CE LYS A 35 5.914 -7.293 7.996 1.00 0.00 C ATOM 551 NZ LYS A 35 5.287 -8.627 8.208 1.00 0.00 N ATOM 0 H LYS A 35 9.576 -4.159 9.498 1.00 0.00 H new ATOM 0 HA LYS A 35 8.252 -5.752 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.425 -4.935 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.137 -3.353 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.022 -4.187 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.675 -4.788 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.988 -6.488 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.407 -6.398 9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.652 -6.923 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.999 -7.394 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.613 -9.285 7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.557 -8.993 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.252 -8.536 8.157 1.00 0.00 H new ATOM 565 N ILE A 36 7.426 -4.653 5.690 1.00 0.00 N ATOM 566 CA ILE A 36 7.082 -4.061 4.409 1.00 0.00 C ATOM 567 C ILE A 36 6.136 -2.876 4.559 1.00 0.00 C ATOM 568 O ILE A 36 5.523 -2.676 5.607 1.00 0.00 O ATOM 569 CB ILE A 36 6.426 -5.089 3.485 1.00 0.00 C ATOM 570 CG1 ILE A 36 5.237 -5.743 4.182 1.00 0.00 C ATOM 571 CG2 ILE A 36 7.438 -6.129 3.040 1.00 0.00 C ATOM 572 CD1 ILE A 36 4.646 -6.887 3.404 1.00 0.00 C ATOM 0 H ILE A 36 7.268 -5.659 5.743 1.00 0.00 H new ATOM 0 HA ILE A 36 8.019 -3.713 3.975 1.00 0.00 H new ATOM 0 HB ILE A 36 6.060 -4.577 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.552 -6.103 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.466 -4.991 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.953 -6.851 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.251 -5.640 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.838 -6.644 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.805 -7.307 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.301 -6.528 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.404 -7.657 3.257 1.00 0.00 H new ATOM 584 N ASN A 37 6.018 -2.110 3.484 1.00 0.00 N ATOM 585 CA ASN A 37 5.141 -0.949 3.446 1.00 0.00 C ATOM 586 C ASN A 37 4.492 -0.860 2.072 1.00 0.00 C ATOM 587 O ASN A 37 4.512 0.185 1.425 1.00 0.00 O ATOM 588 CB ASN A 37 5.928 0.328 3.750 1.00 0.00 C ATOM 589 CG ASN A 37 6.450 0.360 5.173 1.00 0.00 C ATOM 590 OD1 ASN A 37 5.826 -0.180 6.087 1.00 0.00 O ATOM 591 ND2 ASN A 37 7.600 0.994 5.368 1.00 0.00 N ATOM 0 H ASN A 37 6.526 -2.275 2.615 1.00 0.00 H new ATOM 0 HA ASN A 37 4.367 -1.056 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.765 0.409 3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.289 1.195 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.000 1.048 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.083 1.427 4.581 1.00 0.00 H new ATOM 598 N LEU A 38 3.935 -1.985 1.633 1.00 0.00 N ATOM 599 CA LEU A 38 3.292 -2.086 0.329 1.00 0.00 C ATOM 600 C LEU A 38 2.195 -1.036 0.134 1.00 0.00 C ATOM 601 O LEU A 38 1.733 -0.822 -0.987 1.00 0.00 O ATOM 602 CB LEU A 38 2.716 -3.491 0.145 1.00 0.00 C ATOM 603 CG LEU A 38 3.661 -4.638 0.524 1.00 0.00 C ATOM 604 CD1 LEU A 38 2.895 -5.753 1.214 1.00 0.00 C ATOM 605 CD2 LEU A 38 4.382 -5.173 -0.706 1.00 0.00 C ATOM 0 H LEU A 38 3.917 -2.851 2.172 1.00 0.00 H new ATOM 0 HA LEU A 38 4.054 -1.895 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.809 -3.576 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.423 -3.613 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 38 4.407 -4.249 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.581 -6.558 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.427 -5.367 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.126 -6.136 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.047 -5.986 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.650 -5.543 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.966 -4.373 -1.162 1.00 0.00 H new ATOM 617 N PHE A 39 1.773 -0.382 1.212 1.00 0.00 N ATOM 618 CA PHE A 39 0.731 0.632 1.107 1.00 0.00 C ATOM 619 C PHE A 39 1.325 2.025 0.902 1.00 0.00 C ATOM 620 O PHE A 39 0.848 2.785 0.064 1.00 0.00 O ATOM 621 CB PHE A 39 -0.174 0.598 2.337 1.00 0.00 C ATOM 622 CG PHE A 39 -1.063 -0.613 2.369 1.00 0.00 C ATOM 623 CD1 PHE A 39 -2.282 -0.618 1.705 1.00 0.00 C ATOM 624 CD2 PHE A 39 -0.674 -1.750 3.053 1.00 0.00 C ATOM 625 CE1 PHE A 39 -3.095 -1.738 1.729 1.00 0.00 C ATOM 626 CE2 PHE A 39 -1.481 -2.870 3.082 1.00 0.00 C ATOM 627 CZ PHE A 39 -2.692 -2.865 2.420 1.00 0.00 C ATOM 0 H PHE A 39 2.131 -0.533 2.155 1.00 0.00 H new ATOM 0 HA PHE A 39 0.127 0.403 0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.441 0.616 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.790 1.497 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.599 0.261 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.273 -1.762 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.042 -1.731 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.165 -3.750 3.623 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.324 -3.741 2.442 1.00 0.00 H new ATOM 637 N TYR A 40 2.376 2.355 1.650 1.00 0.00 N ATOM 638 CA TYR A 40 3.027 3.661 1.514 1.00 0.00 C ATOM 639 C TYR A 40 3.385 3.919 0.052 1.00 0.00 C ATOM 640 O TYR A 40 2.711 4.684 -0.651 1.00 0.00 O ATOM 641 CB TYR A 40 4.287 3.716 2.380 1.00 0.00 C ATOM 642 CG TYR A 40 4.303 4.870 3.356 1.00 0.00 C ATOM 643 CD1 TYR A 40 4.382 6.183 2.909 1.00 0.00 C ATOM 644 CD2 TYR A 40 4.241 4.646 4.726 1.00 0.00 C ATOM 645 CE1 TYR A 40 4.399 7.240 3.799 1.00 0.00 C ATOM 646 CE2 TYR A 40 4.256 5.698 5.622 1.00 0.00 C ATOM 647 CZ TYR A 40 4.335 6.992 5.154 1.00 0.00 C ATOM 648 OH TYR A 40 4.350 8.042 6.043 1.00 0.00 O ATOM 0 H TYR A 40 2.794 1.744 2.351 1.00 0.00 H new ATOM 0 HA TYR A 40 2.336 4.434 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.378 2.782 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.160 3.788 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.431 6.381 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.180 3.633 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.462 8.255 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.206 5.507 6.684 1.00 0.00 H new ATOM 0 HH TYR A 40 4.297 7.696 6.958 1.00 0.00 H new ATOM 658 N LEU A 41 4.434 3.253 -0.419 1.00 0.00 N ATOM 659 CA LEU A 41 4.847 3.388 -1.807 1.00 0.00 C ATOM 660 C LEU A 41 3.620 3.311 -2.700 1.00 0.00 C ATOM 661 O LEU A 41 3.530 3.986 -3.720 1.00 0.00 O ATOM 662 CB LEU A 41 5.838 2.289 -2.188 1.00 0.00 C ATOM 663 CG LEU A 41 5.212 0.929 -2.519 1.00 0.00 C ATOM 664 CD1 LEU A 41 6.277 -0.026 -3.026 1.00 0.00 C ATOM 665 CD2 LEU A 41 4.531 0.348 -1.294 1.00 0.00 C ATOM 0 H LEU A 41 5.009 2.619 0.137 1.00 0.00 H new ATOM 0 HA LEU A 41 5.341 4.351 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.414 2.625 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.542 2.156 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 41 4.464 1.071 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.822 -0.989 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.736 0.385 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.040 -0.161 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.092 -0.617 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.264 0.217 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.747 1.027 -0.957 1.00 0.00 H new ATOM 677 N TYR A 42 2.655 2.499 -2.286 1.00 0.00 N ATOM 678 CA TYR A 42 1.428 2.369 -3.035 1.00 0.00 C ATOM 679 C TYR A 42 0.718 3.726 -3.055 1.00 0.00 C ATOM 680 O TYR A 42 0.294 4.205 -4.103 1.00 0.00 O ATOM 681 CB TYR A 42 0.542 1.262 -2.436 1.00 0.00 C ATOM 682 CG TYR A 42 -0.951 1.501 -2.585 1.00 0.00 C ATOM 683 CD1 TYR A 42 -1.440 2.182 -3.684 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.862 1.073 -1.628 1.00 0.00 C ATOM 685 CE1 TYR A 42 -2.773 2.439 -3.843 1.00 0.00 C ATOM 686 CE2 TYR A 42 -3.217 1.320 -1.777 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.667 2.008 -2.888 1.00 0.00 C ATOM 688 OH TYR A 42 -5.011 2.263 -3.040 1.00 0.00 O ATOM 0 H TYR A 42 2.704 1.928 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 42 1.645 2.074 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.795 0.314 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.777 1.159 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.748 2.521 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.510 0.541 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.123 2.977 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.917 0.977 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.472 1.440 -3.307 1.00 0.00 H new ATOM 698 N MET A 43 0.608 4.363 -1.901 1.00 0.00 N ATOM 699 CA MET A 43 -0.031 5.670 -1.830 1.00 0.00 C ATOM 700 C MET A 43 0.444 6.552 -2.977 1.00 0.00 C ATOM 701 O MET A 43 -0.290 7.417 -3.454 1.00 0.00 O ATOM 702 CB MET A 43 0.244 6.336 -0.484 1.00 0.00 C ATOM 703 CG MET A 43 -0.912 6.208 0.489 1.00 0.00 C ATOM 704 SD MET A 43 -1.215 4.506 1.000 1.00 0.00 S ATOM 705 CE MET A 43 -1.918 3.809 -0.496 1.00 0.00 C ATOM 0 H MET A 43 0.948 4.003 -1.009 1.00 0.00 H new ATOM 0 HA MET A 43 -1.108 5.533 -1.922 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.135 5.892 -0.041 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.461 7.392 -0.645 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.707 6.815 1.371 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.814 6.610 0.028 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.600 3.000 -0.235 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.463 4.583 -1.037 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.119 3.420 -1.127 1.00 0.00 H new ATOM 715 N LEU A 44 1.674 6.315 -3.429 1.00 0.00 N ATOM 716 CA LEU A 44 2.224 7.085 -4.538 1.00 0.00 C ATOM 717 C LEU A 44 1.726 6.568 -5.886 1.00 0.00 C ATOM 718 O LEU A 44 1.426 7.362 -6.777 1.00 0.00 O ATOM 719 CB LEU A 44 3.750 7.078 -4.541 1.00 0.00 C ATOM 720 CG LEU A 44 4.435 6.689 -3.234 1.00 0.00 C ATOM 721 CD1 LEU A 44 5.903 7.083 -3.282 1.00 0.00 C ATOM 722 CD2 LEU A 44 3.750 7.338 -2.037 1.00 0.00 C ATOM 0 H LEU A 44 2.300 5.605 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 44 1.876 8.108 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.086 6.392 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.095 8.073 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 44 4.358 5.608 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.386 6.802 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.391 6.569 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.986 8.160 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.261 7.042 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.789 8.422 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.710 7.014 -1.993 1.00 0.00 H new ATOM 734 N VAL A 45 1.623 5.243 -6.047 1.00 0.00 N ATOM 735 CA VAL A 45 1.140 4.696 -7.317 1.00 0.00 C ATOM 736 C VAL A 45 -0.238 5.239 -7.590 1.00 0.00 C ATOM 737 O VAL A 45 -0.662 5.345 -8.736 1.00 0.00 O ATOM 738 CB VAL A 45 1.082 3.156 -7.365 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.507 2.587 -6.108 1.00 0.00 C ATOM 740 CG2 VAL A 45 0.257 2.694 -8.545 1.00 0.00 C ATOM 0 H VAL A 45 1.860 4.550 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 45 1.861 5.003 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 45 2.106 2.797 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.482 1.500 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.125 2.881 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.506 2.965 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.227 1.605 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.757 3.084 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.706 3.060 -9.468 1.00 0.00 H new ATOM 750 N GLN A 46 -0.919 5.604 -6.514 1.00 0.00 N ATOM 751 CA GLN A 46 -2.253 6.183 -6.613 1.00 0.00 C ATOM 752 C GLN A 46 -2.270 7.210 -7.741 1.00 0.00 C ATOM 753 O GLN A 46 -3.281 7.395 -8.420 1.00 0.00 O ATOM 754 CB GLN A 46 -2.657 6.837 -5.290 1.00 0.00 C ATOM 755 CG GLN A 46 -4.099 6.564 -4.892 1.00 0.00 C ATOM 756 CD GLN A 46 -4.969 7.804 -4.959 1.00 0.00 C ATOM 757 OE1 GLN A 46 -4.474 8.929 -4.879 1.00 0.00 O ATOM 758 NE2 GLN A 46 -6.274 7.605 -5.105 1.00 0.00 N ATOM 0 H GLN A 46 -0.570 5.510 -5.560 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.972 5.393 -6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.997 6.478 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.507 7.914 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.514 5.798 -5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.122 6.163 -3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.641 6.655 -5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.909 8.402 -5.155 1.00 0.00 H new ATOM 767 N LYS A 47 -1.114 7.847 -7.956 1.00 0.00 N ATOM 768 CA LYS A 47 -0.955 8.821 -9.025 1.00 0.00 C ATOM 769 C LYS A 47 -1.487 8.223 -10.324 1.00 0.00 C ATOM 770 O LYS A 47 -2.054 8.923 -11.162 1.00 0.00 O ATOM 771 CB LYS A 47 0.533 9.229 -9.130 1.00 0.00 C ATOM 772 CG LYS A 47 1.115 9.320 -10.542 1.00 0.00 C ATOM 773 CD LYS A 47 0.293 10.234 -11.440 1.00 0.00 C ATOM 774 CE LYS A 47 1.046 11.510 -11.786 1.00 0.00 C ATOM 775 NZ LYS A 47 0.524 12.684 -11.033 1.00 0.00 N ATOM 0 H LYS A 47 -0.274 7.700 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.527 9.725 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.657 10.198 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.125 8.511 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.139 9.689 -10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.158 8.323 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.033 9.705 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.643 10.488 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.105 11.378 -11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.966 11.700 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.063 13.533 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.480 12.826 -11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.624 12.514 -10.012 1.00 0.00 H new ATOM 789 N PHE A 48 -1.332 6.910 -10.460 1.00 0.00 N ATOM 790 CA PHE A 48 -1.823 6.209 -11.624 1.00 0.00 C ATOM 791 C PHE A 48 -3.081 5.425 -11.287 1.00 0.00 C ATOM 792 O PHE A 48 -4.047 5.424 -12.050 1.00 0.00 O ATOM 793 CB PHE A 48 -0.752 5.295 -12.204 1.00 0.00 C ATOM 794 CG PHE A 48 -0.440 5.638 -13.632 1.00 0.00 C ATOM 795 CD1 PHE A 48 -1.459 5.926 -14.528 1.00 0.00 C ATOM 796 CD2 PHE A 48 0.866 5.699 -14.072 1.00 0.00 C ATOM 797 CE1 PHE A 48 -1.177 6.263 -15.837 1.00 0.00 C ATOM 798 CE2 PHE A 48 1.157 6.037 -15.380 1.00 0.00 C ATOM 799 CZ PHE A 48 0.134 6.319 -16.264 1.00 0.00 C ATOM 0 H PHE A 48 -0.868 6.316 -9.773 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.076 6.949 -12.383 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.155 5.372 -11.605 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.086 4.259 -12.144 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.486 5.886 -14.197 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.671 5.480 -13.386 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.980 6.482 -16.525 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.184 6.081 -15.711 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.360 6.583 -17.287 1.00 0.00 H new ATOM 809 N GLY A 49 -3.061 4.752 -10.144 1.00 0.00 N ATOM 810 CA GLY A 49 -4.201 3.967 -9.730 1.00 0.00 C ATOM 811 C GLY A 49 -4.121 2.569 -10.279 1.00 0.00 C ATOM 812 O GLY A 49 -4.484 1.601 -9.611 1.00 0.00 O ATOM 0 H GLY A 49 -2.273 4.738 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.247 3.932 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.119 4.444 -10.073 1.00 0.00 H new ATOM 816 N GLY A 50 -3.614 2.467 -11.499 1.00 0.00 N ATOM 817 CA GLY A 50 -3.456 1.182 -12.124 1.00 0.00 C ATOM 818 C GLY A 50 -2.023 0.722 -12.047 1.00 0.00 C ATOM 819 O GLY A 50 -1.185 1.143 -12.843 1.00 0.00 O ATOM 0 H GLY A 50 -3.310 3.259 -12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.103 0.453 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.769 1.239 -13.167 1.00 0.00 H new ATOM 823 N ALA A 51 -1.736 -0.120 -11.065 1.00 0.00 N ATOM 824 CA ALA A 51 -0.387 -0.623 -10.851 1.00 0.00 C ATOM 825 C ALA A 51 0.310 -0.990 -12.160 1.00 0.00 C ATOM 826 O ALA A 51 1.424 -0.538 -12.432 1.00 0.00 O ATOM 827 CB ALA A 51 -0.419 -1.812 -9.917 1.00 0.00 C ATOM 0 H ALA A 51 -2.425 -0.471 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 51 0.193 0.180 -10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.595 -2.181 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.845 -1.511 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.030 -2.602 -10.354 1.00 0.00 H new ATOM 833 N ASP A 52 -0.352 -1.813 -12.963 1.00 0.00 N ATOM 834 CA ASP A 52 0.202 -2.250 -14.239 1.00 0.00 C ATOM 835 C ASP A 52 0.437 -1.079 -15.190 1.00 0.00 C ATOM 836 O ASP A 52 1.164 -1.213 -16.174 1.00 0.00 O ATOM 837 CB ASP A 52 -0.732 -3.267 -14.896 1.00 0.00 C ATOM 838 CG ASP A 52 0.025 -4.386 -15.585 1.00 0.00 C ATOM 839 OD1 ASP A 52 0.832 -4.087 -16.490 1.00 0.00 O ATOM 840 OD2 ASP A 52 -0.189 -5.561 -15.218 1.00 0.00 O ATOM 0 H ASP A 52 -1.275 -2.192 -12.753 1.00 0.00 H new ATOM 0 HA ASP A 52 1.167 -2.713 -14.034 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.393 -3.691 -14.140 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.365 -2.758 -15.623 1.00 0.00 H new ATOM 845 N GLN A 53 -0.161 0.073 -14.895 1.00 0.00 N ATOM 846 CA GLN A 53 0.018 1.245 -15.728 1.00 0.00 C ATOM 847 C GLN A 53 1.161 2.074 -15.193 1.00 0.00 C ATOM 848 O GLN A 53 1.923 2.686 -15.942 1.00 0.00 O ATOM 849 CB GLN A 53 -1.262 2.075 -15.776 1.00 0.00 C ATOM 850 CG GLN A 53 -1.227 3.159 -16.835 1.00 0.00 C ATOM 851 CD GLN A 53 -2.602 3.490 -17.382 1.00 0.00 C ATOM 852 OE1 GLN A 53 -2.942 3.119 -18.505 1.00 0.00 O ATOM 853 NE2 GLN A 53 -3.402 4.193 -16.588 1.00 0.00 N ATOM 0 H GLN A 53 -0.769 0.213 -14.088 1.00 0.00 H new ATOM 0 HA GLN A 53 0.250 0.924 -16.743 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.109 1.416 -15.967 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.428 2.533 -14.801 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.783 4.060 -16.412 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.582 2.840 -17.654 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.079 4.480 -15.664 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.339 4.446 -16.902 1.00 0.00 H new ATOM 862 N VAL A 54 1.255 2.090 -13.872 1.00 0.00 N ATOM 863 CA VAL A 54 2.277 2.840 -13.185 1.00 0.00 C ATOM 864 C VAL A 54 3.628 2.142 -13.226 1.00 0.00 C ATOM 865 O VAL A 54 4.641 2.683 -12.787 1.00 0.00 O ATOM 866 CB VAL A 54 1.842 3.131 -11.743 1.00 0.00 C ATOM 867 CG1 VAL A 54 1.900 1.935 -10.816 1.00 0.00 C ATOM 868 CG2 VAL A 54 2.661 4.241 -11.191 1.00 0.00 C ATOM 0 H VAL A 54 0.623 1.582 -13.254 1.00 0.00 H new ATOM 0 HA VAL A 54 2.402 3.788 -13.709 1.00 0.00 H new ATOM 0 HB VAL A 54 0.790 3.411 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.576 2.232 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.243 1.151 -11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.923 1.561 -10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.351 4.447 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.713 3.957 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.520 5.134 -11.799 1.00 0.00 H new ATOM 878 N THR A 55 3.620 0.947 -13.777 1.00 0.00 N ATOM 879 CA THR A 55 4.825 0.137 -13.919 1.00 0.00 C ATOM 880 C THR A 55 5.709 0.629 -15.054 1.00 0.00 C ATOM 881 O THR A 55 6.926 0.449 -15.037 1.00 0.00 O ATOM 882 CB THR A 55 4.446 -1.315 -14.162 1.00 0.00 C ATOM 883 OG1 THR A 55 3.572 -1.430 -15.271 1.00 0.00 O ATOM 884 CG2 THR A 55 3.769 -1.940 -12.974 1.00 0.00 C ATOM 0 H THR A 55 2.778 0.503 -14.142 1.00 0.00 H new ATOM 0 HA THR A 55 5.391 0.224 -12.992 1.00 0.00 H new ATOM 0 HB THR A 55 5.382 -1.839 -14.353 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.342 -2.372 -15.410 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.520 -2.977 -13.201 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.439 -1.908 -12.115 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.857 -1.390 -12.744 1.00 0.00 H new ATOM 892 N ARG A 56 5.081 1.234 -16.039 1.00 0.00 N ATOM 893 CA ARG A 56 5.794 1.747 -17.207 1.00 0.00 C ATOM 894 C ARG A 56 5.779 3.273 -17.251 1.00 0.00 C ATOM 895 O ARG A 56 5.560 3.867 -18.307 1.00 0.00 O ATOM 896 CB ARG A 56 5.173 1.185 -18.488 1.00 0.00 C ATOM 897 CG ARG A 56 3.765 1.694 -18.754 1.00 0.00 C ATOM 898 CD ARG A 56 2.981 0.735 -19.634 1.00 0.00 C ATOM 899 NE ARG A 56 3.119 1.057 -21.053 1.00 0.00 N ATOM 900 CZ ARG A 56 2.269 0.650 -21.992 1.00 0.00 C ATOM 901 NH1 ARG A 56 1.219 -0.096 -21.670 1.00 0.00 N ATOM 902 NH2 ARG A 56 2.468 0.990 -23.259 1.00 0.00 N ATOM 0 H ARG A 56 4.073 1.387 -16.061 1.00 0.00 H new ATOM 0 HA ARG A 56 6.832 1.424 -17.130 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.810 1.443 -19.334 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.152 0.097 -18.425 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.242 1.831 -17.808 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.815 2.671 -19.234 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.327 -0.284 -19.458 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.928 0.766 -19.356 1.00 0.00 H new ATOM 0 HE ARG A 56 3.914 1.628 -21.340 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.060 -0.360 -20.698 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.571 -0.405 -22.395 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.273 1.563 -23.513 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.816 0.678 -23.979 1.00 0.00 H new ATOM 916 N THR A 57 6.007 3.906 -16.106 1.00 0.00 N ATOM 917 CA THR A 57 6.008 5.366 -16.039 1.00 0.00 C ATOM 918 C THR A 57 7.026 5.887 -15.026 1.00 0.00 C ATOM 919 O THR A 57 7.907 5.153 -14.577 1.00 0.00 O ATOM 920 CB THR A 57 4.616 5.864 -15.668 1.00 0.00 C ATOM 921 OG1 THR A 57 4.558 7.282 -15.712 1.00 0.00 O ATOM 922 CG2 THR A 57 4.190 5.423 -14.287 1.00 0.00 C ATOM 0 H THR A 57 6.192 3.439 -15.218 1.00 0.00 H new ATOM 0 HA THR A 57 6.291 5.744 -17.021 1.00 0.00 H new ATOM 0 HB THR A 57 3.938 5.428 -16.402 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.656 7.580 -15.472 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.192 5.805 -14.075 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.179 4.334 -14.240 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.892 5.811 -13.549 1.00 0.00 H new ATOM 930 N GLN A 58 6.889 7.165 -14.671 1.00 0.00 N ATOM 931 CA GLN A 58 7.783 7.799 -13.711 1.00 0.00 C ATOM 932 C GLN A 58 7.212 7.717 -12.299 1.00 0.00 C ATOM 933 O GLN A 58 7.956 7.567 -11.329 1.00 0.00 O ATOM 934 CB GLN A 58 8.022 9.261 -14.094 1.00 0.00 C ATOM 935 CG GLN A 58 9.418 9.759 -13.754 1.00 0.00 C ATOM 936 CD GLN A 58 9.401 10.953 -12.819 1.00 0.00 C ATOM 937 OE1 GLN A 58 9.798 10.852 -11.658 1.00 0.00 O ATOM 938 NE2 GLN A 58 8.941 12.092 -13.322 1.00 0.00 N ATOM 0 H GLN A 58 6.163 7.781 -15.038 1.00 0.00 H new ATOM 0 HA GLN A 58 8.734 7.266 -13.730 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.854 9.380 -15.164 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.288 9.886 -13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.986 8.950 -13.294 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.937 10.030 -14.674 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.622 12.130 -14.290 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.906 12.929 -12.740 1.00 0.00 H new ATOM 947 N GLN A 59 5.886 7.811 -12.189 1.00 0.00 N ATOM 948 CA GLN A 59 5.215 7.740 -10.894 1.00 0.00 C ATOM 949 C GLN A 59 5.772 6.586 -10.061 1.00 0.00 C ATOM 950 O GLN A 59 5.807 6.647 -8.831 1.00 0.00 O ATOM 951 CB GLN A 59 3.700 7.568 -11.082 1.00 0.00 C ATOM 952 CG GLN A 59 3.164 8.138 -12.391 1.00 0.00 C ATOM 953 CD GLN A 59 3.484 9.610 -12.561 1.00 0.00 C ATOM 954 OE1 GLN A 59 4.063 10.237 -11.674 1.00 0.00 O ATOM 955 NE2 GLN A 59 3.108 10.170 -13.704 1.00 0.00 N ATOM 0 H GLN A 59 5.257 7.936 -12.982 1.00 0.00 H new ATOM 0 HA GLN A 59 5.400 8.674 -10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.458 6.506 -11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.185 8.050 -10.251 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.587 7.579 -13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.084 7.998 -12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.630 9.613 -14.412 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.297 11.158 -13.874 1.00 0.00 H new ATOM 964 N TRP A 60 6.216 5.535 -10.743 1.00 0.00 N ATOM 965 CA TRP A 60 6.776 4.376 -10.066 1.00 0.00 C ATOM 966 C TRP A 60 8.004 4.763 -9.264 1.00 0.00 C ATOM 967 O TRP A 60 8.168 4.332 -8.123 1.00 0.00 O ATOM 968 CB TRP A 60 7.137 3.287 -11.069 1.00 0.00 C ATOM 969 CG TRP A 60 6.396 1.995 -10.882 1.00 0.00 C ATOM 970 CD1 TRP A 60 6.577 0.870 -11.621 1.00 0.00 C ATOM 971 CD2 TRP A 60 5.373 1.676 -9.914 1.00 0.00 C ATOM 972 NE1 TRP A 60 5.722 -0.117 -11.208 1.00 0.00 N ATOM 973 CE2 TRP A 60 4.981 0.345 -10.153 1.00 0.00 C ATOM 974 CE3 TRP A 60 4.743 2.374 -8.875 1.00 0.00 C ATOM 975 CZ2 TRP A 60 3.999 -0.291 -9.397 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.771 1.735 -8.128 1.00 0.00 C ATOM 977 CH2 TRP A 60 3.409 0.416 -8.393 1.00 0.00 C ATOM 0 H TRP A 60 6.198 5.464 -11.760 1.00 0.00 H new ATOM 0 HA TRP A 60 6.018 3.989 -9.384 1.00 0.00 H new ATOM 0 HB2 TRP A 60 6.944 3.659 -12.075 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.207 3.090 -11.002 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.294 0.768 -12.422 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.649 -1.047 -11.620 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.013 3.397 -8.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.714 -1.313 -9.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.284 2.268 -7.325 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.646 -0.055 -7.791 1.00 0.00 H new ATOM 988 N SER A 61 8.863 5.587 -9.859 1.00 0.00 N ATOM 989 CA SER A 61 10.066 6.033 -9.176 1.00 0.00 C ATOM 990 C SER A 61 9.703 6.490 -7.768 1.00 0.00 C ATOM 991 O SER A 61 10.458 6.288 -6.824 1.00 0.00 O ATOM 992 CB SER A 61 10.735 7.172 -9.947 1.00 0.00 C ATOM 993 OG SER A 61 12.044 7.418 -9.463 1.00 0.00 O ATOM 0 H SER A 61 8.747 5.954 -10.803 1.00 0.00 H new ATOM 0 HA SER A 61 10.772 5.204 -9.120 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.777 6.922 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.135 8.077 -9.857 1.00 0.00 H new ATOM 0 HG SER A 61 12.450 8.149 -9.974 1.00 0.00 H new ATOM 999 N MET A 62 8.510 7.071 -7.641 1.00 0.00 N ATOM 1000 CA MET A 62 8.007 7.522 -6.349 1.00 0.00 C ATOM 1001 C MET A 62 7.796 6.311 -5.452 1.00 0.00 C ATOM 1002 O MET A 62 8.383 6.203 -4.375 1.00 0.00 O ATOM 1003 CB MET A 62 6.687 8.282 -6.518 1.00 0.00 C ATOM 1004 CG MET A 62 6.651 9.209 -7.723 1.00 0.00 C ATOM 1005 SD MET A 62 5.068 10.055 -7.899 1.00 0.00 S ATOM 1006 CE MET A 62 3.929 8.671 -7.852 1.00 0.00 C ATOM 0 H MET A 62 7.875 7.239 -8.421 1.00 0.00 H new ATOM 0 HA MET A 62 8.733 8.198 -5.898 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.874 7.561 -6.604 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.500 8.867 -5.618 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.446 9.949 -7.632 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.854 8.633 -8.626 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.071 8.884 -8.489 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.432 7.773 -8.210 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.590 8.513 -6.828 1.00 0.00 H new ATOM 1016 N VAL A 63 6.979 5.379 -5.935 1.00 0.00 N ATOM 1017 CA VAL A 63 6.708 4.137 -5.219 1.00 0.00 C ATOM 1018 C VAL A 63 8.039 3.441 -4.944 1.00 0.00 C ATOM 1019 O VAL A 63 8.529 3.405 -3.807 1.00 0.00 O ATOM 1020 CB VAL A 63 5.781 3.231 -6.072 1.00 0.00 C ATOM 1021 CG1 VAL A 63 5.695 1.815 -5.531 1.00 0.00 C ATOM 1022 CG2 VAL A 63 4.391 3.831 -6.166 1.00 0.00 C ATOM 0 H VAL A 63 6.490 5.462 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 63 6.203 4.344 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 63 6.224 3.176 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.034 1.223 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.689 1.367 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.300 1.837 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.755 3.182 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.968 3.928 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.450 4.815 -6.632 1.00 0.00 H new ATOM 1032 N ALA A 64 8.624 2.917 -6.013 1.00 0.00 N ATOM 1033 CA ALA A 64 9.923 2.244 -5.953 1.00 0.00 C ATOM 1034 C ALA A 64 10.911 2.950 -5.012 1.00 0.00 C ATOM 1035 O ALA A 64 11.636 2.293 -4.270 1.00 0.00 O ATOM 1036 CB ALA A 64 10.517 2.166 -7.351 1.00 0.00 C ATOM 0 H ALA A 64 8.215 2.944 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 64 9.754 1.244 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.484 1.665 -7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.846 1.604 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.647 3.173 -7.748 1.00 0.00 H new ATOM 1042 N GLN A 65 10.955 4.282 -5.045 1.00 0.00 N ATOM 1043 CA GLN A 65 11.886 5.018 -4.183 1.00 0.00 C ATOM 1044 C GLN A 65 11.358 5.132 -2.755 1.00 0.00 C ATOM 1045 O GLN A 65 12.133 5.234 -1.804 1.00 0.00 O ATOM 1046 CB GLN A 65 12.191 6.412 -4.752 1.00 0.00 C ATOM 1047 CG GLN A 65 11.136 7.464 -4.439 1.00 0.00 C ATOM 1048 CD GLN A 65 11.536 8.848 -4.912 1.00 0.00 C ATOM 1049 OE1 GLN A 65 12.054 9.655 -4.141 1.00 0.00 O ATOM 1050 NE2 GLN A 65 11.297 9.129 -6.188 1.00 0.00 N ATOM 0 H GLN A 65 10.371 4.865 -5.645 1.00 0.00 H new ATOM 0 HA GLN A 65 12.815 4.448 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.150 6.749 -4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.299 6.334 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.195 7.181 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.960 7.488 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.865 8.430 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.545 10.044 -6.564 1.00 0.00 H new ATOM 1059 N ARG A 66 10.038 5.115 -2.609 1.00 0.00 N ATOM 1060 CA ARG A 66 9.411 5.216 -1.293 1.00 0.00 C ATOM 1061 C ARG A 66 9.985 4.189 -0.329 1.00 0.00 C ATOM 1062 O ARG A 66 10.440 4.527 0.763 1.00 0.00 O ATOM 1063 CB ARG A 66 7.904 5.007 -1.409 1.00 0.00 C ATOM 1064 CG ARG A 66 7.090 6.128 -0.784 1.00 0.00 C ATOM 1065 CD ARG A 66 7.217 6.130 0.731 1.00 0.00 C ATOM 1066 NE ARG A 66 8.307 6.989 1.187 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.223 8.315 1.264 1.00 0.00 C ATOM 1068 NH1 ARG A 66 7.101 8.937 0.922 1.00 0.00 N ATOM 1069 NH2 ARG A 66 9.263 9.022 1.686 1.00 0.00 N ATOM 0 H ARG A 66 9.380 5.032 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 66 9.616 6.214 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.637 4.917 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.637 4.064 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.425 7.087 -1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.042 6.017 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.280 6.468 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.386 5.112 1.082 1.00 0.00 H new ATOM 0 HE ARG A 66 9.184 6.547 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.298 8.398 0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.042 9.953 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.127 8.549 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.199 10.038 1.745 1.00 0.00 H new ATOM 1083 N LEU A 67 9.943 2.931 -0.742 1.00 0.00 N ATOM 1084 CA LEU A 67 10.443 1.841 0.087 1.00 0.00 C ATOM 1085 C LEU A 67 11.944 1.620 -0.108 1.00 0.00 C ATOM 1086 O LEU A 67 12.484 0.593 0.304 1.00 0.00 O ATOM 1087 CB LEU A 67 9.667 0.553 -0.208 1.00 0.00 C ATOM 1088 CG LEU A 67 9.969 -0.104 -1.555 1.00 0.00 C ATOM 1089 CD1 LEU A 67 9.354 -1.492 -1.622 1.00 0.00 C ATOM 1090 CD2 LEU A 67 9.454 0.753 -2.697 1.00 0.00 C ATOM 0 H LEU A 67 9.569 2.639 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 67 10.288 2.119 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.878 -0.167 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.601 0.774 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 67 11.051 -0.197 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.580 -1.944 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.767 -2.112 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.273 -1.417 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.679 0.267 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.376 0.878 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.937 1.730 -2.665 1.00 0.00 H new ATOM 1102 N GLN A 68 12.618 2.590 -0.725 1.00 0.00 N ATOM 1103 CA GLN A 68 14.056 2.497 -0.954 1.00 0.00 C ATOM 1104 C GLN A 68 14.389 1.322 -1.863 1.00 0.00 C ATOM 1105 O GLN A 68 14.927 0.308 -1.415 1.00 0.00 O ATOM 1106 CB GLN A 68 14.798 2.357 0.376 1.00 0.00 C ATOM 1107 CG GLN A 68 14.497 3.474 1.362 1.00 0.00 C ATOM 1108 CD GLN A 68 15.069 4.808 0.923 1.00 0.00 C ATOM 1109 OE1 GLN A 68 16.191 5.164 1.282 1.00 0.00 O ATOM 1110 NE2 GLN A 68 14.296 5.555 0.143 1.00 0.00 N ATOM 0 H GLN A 68 12.190 3.448 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 68 14.379 3.414 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.535 1.402 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.871 2.333 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.418 3.567 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.904 3.212 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.372 5.220 -0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.626 6.463 -0.183 1.00 0.00 H new ATOM 1119 N ILE A 69 14.066 1.463 -3.141 1.00 0.00 N ATOM 1120 CA ILE A 69 14.332 0.410 -4.111 1.00 0.00 C ATOM 1121 C ILE A 69 14.135 0.907 -5.541 1.00 0.00 C ATOM 1122 O ILE A 69 13.060 1.380 -5.904 1.00 0.00 O ATOM 1123 CB ILE A 69 13.423 -0.814 -3.862 1.00 0.00 C ATOM 1124 CG1 ILE A 69 13.739 -1.952 -4.841 1.00 0.00 C ATOM 1125 CG2 ILE A 69 11.960 -0.410 -3.968 1.00 0.00 C ATOM 1126 CD1 ILE A 69 15.216 -2.122 -5.136 1.00 0.00 C ATOM 0 H ILE A 69 13.620 2.294 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 69 15.373 0.113 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 69 13.617 -1.181 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.351 -2.886 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.211 -1.769 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.328 -1.280 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.739 0.356 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.763 -0.016 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.355 -2.946 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.607 -1.204 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.749 -2.338 -4.210 1.00 0.00 H new ATOM 1138 N SER A 70 15.177 0.785 -6.355 1.00 0.00 N ATOM 1139 CA SER A 70 15.112 1.213 -7.748 1.00 0.00 C ATOM 1140 C SER A 70 14.667 0.058 -8.637 1.00 0.00 C ATOM 1141 O SER A 70 15.151 -0.103 -9.758 1.00 0.00 O ATOM 1142 CB SER A 70 16.474 1.735 -8.210 1.00 0.00 C ATOM 1143 OG SER A 70 16.698 3.056 -7.748 1.00 0.00 O ATOM 0 H SER A 70 16.076 0.394 -6.075 1.00 0.00 H new ATOM 0 HA SER A 70 14.382 2.019 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.262 1.079 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.525 1.714 -9.299 1.00 0.00 H new ATOM 0 HG SER A 70 17.576 3.366 -8.055 1.00 0.00 H new ATOM 1149 N ASP A 71 13.749 -0.751 -8.119 1.00 0.00 N ATOM 1150 CA ASP A 71 13.239 -1.904 -8.847 1.00 0.00 C ATOM 1151 C ASP A 71 11.756 -1.736 -9.173 1.00 0.00 C ATOM 1152 O ASP A 71 10.932 -2.528 -8.727 1.00 0.00 O ATOM 1153 CB ASP A 71 13.456 -3.170 -8.009 1.00 0.00 C ATOM 1154 CG ASP A 71 14.137 -4.274 -8.793 1.00 0.00 C ATOM 1155 OD1 ASP A 71 13.427 -5.046 -9.471 1.00 0.00 O ATOM 1156 OD2 ASP A 71 15.381 -4.367 -8.729 1.00 0.00 O ATOM 0 H ASP A 71 13.342 -0.627 -7.192 1.00 0.00 H new ATOM 0 HA ASP A 71 13.781 -1.990 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.059 -2.924 -7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.494 -3.529 -7.643 1.00 0.00 H new ATOM 1161 N TYR A 72 11.424 -0.696 -9.950 1.00 0.00 N ATOM 1162 CA TYR A 72 10.033 -0.413 -10.334 1.00 0.00 C ATOM 1163 C TYR A 72 9.230 -1.699 -10.522 1.00 0.00 C ATOM 1164 O TYR A 72 8.073 -1.796 -10.107 1.00 0.00 O ATOM 1165 CB TYR A 72 9.971 0.427 -11.612 1.00 0.00 C ATOM 1166 CG TYR A 72 11.106 1.417 -11.759 1.00 0.00 C ATOM 1167 CD1 TYR A 72 11.094 2.625 -11.071 1.00 0.00 C ATOM 1168 CD2 TYR A 72 12.189 1.143 -12.584 1.00 0.00 C ATOM 1169 CE1 TYR A 72 12.129 3.531 -11.202 1.00 0.00 C ATOM 1170 CE2 TYR A 72 13.228 2.044 -12.720 1.00 0.00 C ATOM 1171 CZ TYR A 72 13.194 3.236 -12.028 1.00 0.00 C ATOM 1172 OH TYR A 72 14.227 4.135 -12.161 1.00 0.00 O ATOM 0 H TYR A 72 12.102 -0.034 -10.327 1.00 0.00 H new ATOM 0 HA TYR A 72 9.588 0.156 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 72 9.973 -0.241 -12.473 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.026 0.969 -11.631 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.262 2.859 -10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 72 12.220 0.211 -13.128 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.104 4.465 -10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 72 14.063 1.815 -13.366 1.00 0.00 H new ATOM 0 HH TYR A 72 14.897 3.774 -12.778 1.00 0.00 H new ATOM 1182 N GLN A 73 9.845 -2.691 -11.143 1.00 0.00 N ATOM 1183 CA GLN A 73 9.184 -3.953 -11.364 1.00 0.00 C ATOM 1184 C GLN A 73 8.792 -4.620 -10.053 1.00 0.00 C ATOM 1185 O GLN A 73 7.687 -5.154 -9.921 1.00 0.00 O ATOM 1186 CB GLN A 73 10.101 -4.857 -12.150 1.00 0.00 C ATOM 1187 CG GLN A 73 9.640 -5.036 -13.566 1.00 0.00 C ATOM 1188 CD GLN A 73 8.708 -6.224 -13.709 1.00 0.00 C ATOM 1189 OE1 GLN A 73 7.772 -6.348 -12.762 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 8.821 -7.016 -14.645 1.00 0.00 N flip ATOM 0 H GLN A 73 10.799 -2.641 -11.500 1.00 0.00 H new ATOM 0 HA GLN A 73 8.267 -3.769 -11.924 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.109 -4.441 -12.147 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.156 -5.830 -11.662 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.130 -4.132 -13.899 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.505 -5.172 -14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.552 -6.879 -15.343 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.184 -7.809 -14.722 1.00 0.00 H new ATOM 1199 N GLN A 74 9.685 -4.568 -9.074 1.00 0.00 N ATOM 1200 CA GLN A 74 9.405 -5.149 -7.782 1.00 0.00 C ATOM 1201 C GLN A 74 8.202 -4.455 -7.188 1.00 0.00 C ATOM 1202 O GLN A 74 7.465 -5.031 -6.394 1.00 0.00 O ATOM 1203 CB GLN A 74 10.613 -5.002 -6.858 1.00 0.00 C ATOM 1204 CG GLN A 74 10.394 -5.585 -5.473 1.00 0.00 C ATOM 1205 CD GLN A 74 11.187 -6.857 -5.241 1.00 0.00 C ATOM 1206 OE1 GLN A 74 10.735 -7.953 -5.573 1.00 0.00 O ATOM 1207 NE2 GLN A 74 12.376 -6.716 -4.668 1.00 0.00 N ATOM 0 H GLN A 74 10.603 -4.130 -9.156 1.00 0.00 H new ATOM 0 HA GLN A 74 9.196 -6.213 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.472 -5.491 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.861 -3.945 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.674 -4.845 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.333 -5.793 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 74 12.711 -5.788 -4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.955 -7.536 -4.486 1.00 0.00 H new ATOM 1216 N LEU A 75 8.013 -3.203 -7.596 1.00 0.00 N ATOM 1217 CA LEU A 75 6.914 -2.404 -7.128 1.00 0.00 C ATOM 1218 C LEU A 75 5.588 -3.023 -7.472 1.00 0.00 C ATOM 1219 O LEU A 75 4.866 -3.472 -6.596 1.00 0.00 O ATOM 1220 CB LEU A 75 7.024 -1.013 -7.695 1.00 0.00 C ATOM 1221 CG LEU A 75 8.114 -0.212 -7.030 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.819 -0.125 -5.553 1.00 0.00 C ATOM 1223 CD2 LEU A 75 9.472 -0.853 -7.237 1.00 0.00 C ATOM 0 H LEU A 75 8.623 -2.726 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 75 6.966 -2.352 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.221 -1.073 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.071 -0.497 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 75 8.139 0.783 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.601 0.452 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.857 0.364 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.786 -1.129 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.237 -0.252 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.470 -1.856 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.687 -0.913 -8.304 1.00 0.00 H new ATOM 1235 N GLU A 76 5.243 -3.074 -8.739 1.00 0.00 N ATOM 1236 CA GLU A 76 3.967 -3.685 -9.072 1.00 0.00 C ATOM 1237 C GLU A 76 3.904 -5.118 -8.564 1.00 0.00 C ATOM 1238 O GLU A 76 2.828 -5.689 -8.439 1.00 0.00 O ATOM 1239 CB GLU A 76 3.644 -3.643 -10.543 1.00 0.00 C ATOM 1240 CG GLU A 76 2.169 -3.900 -10.779 1.00 0.00 C ATOM 1241 CD GLU A 76 1.840 -4.248 -12.217 1.00 0.00 C ATOM 1242 OE1 GLU A 76 2.781 -4.462 -13.009 1.00 0.00 O ATOM 1243 OE2 GLU A 76 0.638 -4.315 -12.550 1.00 0.00 O ATOM 0 H GLU A 76 5.792 -2.721 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 76 3.210 -3.084 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.918 -2.671 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.237 -4.390 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.842 -4.714 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.603 -3.015 -10.489 1.00 0.00 H new ATOM 1250 N SER A 77 5.050 -5.677 -8.194 1.00 0.00 N ATOM 1251 CA SER A 77 5.063 -7.008 -7.619 1.00 0.00 C ATOM 1252 C SER A 77 4.407 -6.874 -6.258 1.00 0.00 C ATOM 1253 O SER A 77 3.755 -7.782 -5.747 1.00 0.00 O ATOM 1254 CB SER A 77 6.492 -7.541 -7.488 1.00 0.00 C ATOM 1255 OG SER A 77 6.566 -8.903 -7.871 1.00 0.00 O ATOM 0 H SER A 77 5.965 -5.235 -8.281 1.00 0.00 H new ATOM 0 HA SER A 77 4.532 -7.719 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.163 -6.948 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.831 -7.431 -6.458 1.00 0.00 H new ATOM 0 HG SER A 77 7.489 -9.219 -7.780 1.00 0.00 H new ATOM 1261 N ILE A 78 4.565 -5.671 -5.719 1.00 0.00 N ATOM 1262 CA ILE A 78 3.993 -5.282 -4.456 1.00 0.00 C ATOM 1263 C ILE A 78 2.518 -4.983 -4.639 1.00 0.00 C ATOM 1264 O ILE A 78 1.654 -5.520 -3.944 1.00 0.00 O ATOM 1265 CB ILE A 78 4.672 -3.989 -3.901 1.00 0.00 C ATOM 1266 CG1 ILE A 78 3.903 -2.720 -4.316 1.00 0.00 C ATOM 1267 CG2 ILE A 78 6.107 -3.866 -4.359 1.00 0.00 C ATOM 1268 CD1 ILE A 78 3.828 -1.677 -3.236 1.00 0.00 C ATOM 0 H ILE A 78 5.107 -4.931 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 78 4.147 -6.104 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 78 4.654 -4.080 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.382 -2.287 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.891 -2.999 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.542 -2.954 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.676 -4.727 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.139 -3.828 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.272 -0.814 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.322 -2.092 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.836 -1.368 -2.958 1.00 0.00 H new ATOM 1280 N TYR A 79 2.262 -4.078 -5.582 1.00 0.00 N ATOM 1281 CA TYR A 79 0.931 -3.631 -5.874 1.00 0.00 C ATOM 1282 C TYR A 79 0.136 -4.761 -6.445 1.00 0.00 C ATOM 1283 O TYR A 79 -0.921 -5.114 -5.947 1.00 0.00 O ATOM 1284 CB TYR A 79 0.968 -2.454 -6.854 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.341 -1.685 -6.954 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -1.574 -2.325 -6.858 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.338 -0.310 -7.139 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -2.757 -1.617 -6.945 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -1.520 0.403 -7.224 1.00 0.00 C ATOM 1290 CZ TYR A 79 -2.724 -0.255 -7.127 1.00 0.00 C ATOM 1291 OH TYR A 79 -3.900 0.454 -7.211 1.00 0.00 O ATOM 0 H TYR A 79 2.983 -3.643 -6.157 1.00 0.00 H new ATOM 0 HA TYR A 79 0.457 -3.294 -4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.758 -1.767 -6.550 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.234 -2.827 -7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.606 -3.395 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.604 0.213 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.704 -2.131 -6.870 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.498 1.473 -7.366 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.999 0.817 -8.116 1.00 0.00 H new ATOM 1301 N PHE A 80 0.657 -5.317 -7.506 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.019 -6.404 -8.186 1.00 0.00 C ATOM 1303 C PHE A 80 0.198 -7.762 -7.542 1.00 0.00 C ATOM 1304 O PHE A 80 -0.772 -8.477 -7.271 1.00 0.00 O ATOM 1305 CB PHE A 80 0.404 -6.461 -9.661 1.00 0.00 C ATOM 1306 CG PHE A 80 -0.245 -7.562 -10.466 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -1.386 -8.211 -10.014 1.00 0.00 C ATOM 1308 CD2 PHE A 80 0.294 -7.943 -11.685 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -1.973 -9.215 -10.761 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -0.289 -8.947 -12.435 1.00 0.00 C ATOM 1311 CZ PHE A 80 -1.424 -9.583 -11.972 1.00 0.00 C ATOM 0 H PHE A 80 1.546 -5.040 -7.922 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.084 -6.186 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.172 -5.504 -10.128 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.486 -6.585 -9.709 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.820 -7.928 -9.067 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.181 -7.449 -12.053 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.861 -9.711 -10.397 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.143 -9.234 -13.382 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.881 -10.367 -12.557 1.00 0.00 H new ATOM 1321 N ARG A 81 1.454 -8.145 -7.347 1.00 0.00 N ATOM 1322 CA ARG A 81 1.747 -9.473 -6.826 1.00 0.00 C ATOM 1323 C ARG A 81 1.699 -9.588 -5.312 1.00 0.00 C ATOM 1324 O ARG A 81 2.040 -10.638 -4.766 1.00 0.00 O ATOM 1325 CB ARG A 81 3.098 -9.938 -7.363 1.00 0.00 C ATOM 1326 CG ARG A 81 3.054 -10.352 -8.829 1.00 0.00 C ATOM 1327 CD ARG A 81 2.260 -9.362 -9.679 1.00 0.00 C ATOM 1328 NE ARG A 81 2.502 -9.557 -11.108 1.00 0.00 N ATOM 1329 CZ ARG A 81 3.592 -9.129 -11.741 1.00 0.00 C ATOM 1330 NH1 ARG A 81 4.544 -8.486 -11.077 1.00 0.00 N ATOM 1331 NH2 ARG A 81 3.731 -9.346 -13.042 1.00 0.00 N ATOM 0 H ARG A 81 2.272 -7.567 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 81 0.947 -10.125 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.825 -9.135 -7.241 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.449 -10.779 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.071 -10.428 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.607 -11.342 -8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.196 -9.476 -9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.531 -8.344 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 81 1.794 -10.050 -11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.443 -8.317 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.377 -8.160 -11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.003 -9.841 -13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.566 -9.018 -13.527 1.00 0.00 H new ATOM 1345 N ILE A 82 1.283 -8.539 -4.621 1.00 0.00 N ATOM 1346 CA ILE A 82 1.218 -8.606 -3.181 1.00 0.00 C ATOM 1347 C ILE A 82 0.097 -7.745 -2.599 1.00 0.00 C ATOM 1348 O ILE A 82 -0.062 -7.680 -1.381 1.00 0.00 O ATOM 1349 CB ILE A 82 2.577 -8.214 -2.582 1.00 0.00 C ATOM 1350 CG1 ILE A 82 3.622 -9.247 -3.010 1.00 0.00 C ATOM 1351 CG2 ILE A 82 2.492 -8.105 -1.069 1.00 0.00 C ATOM 1352 CD1 ILE A 82 4.953 -9.109 -2.305 1.00 0.00 C ATOM 0 H ILE A 82 0.992 -7.651 -5.029 1.00 0.00 H new ATOM 0 HA ILE A 82 0.984 -9.636 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 82 2.872 -7.233 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.227 -10.246 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.782 -9.162 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.467 -7.826 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.759 -7.345 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.189 -9.065 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.637 -9.878 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.373 -8.125 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.809 -9.225 -1.231 1.00 0.00 H new ATOM 1364 N LEU A 83 -0.693 -7.084 -3.445 1.00 0.00 N ATOM 1365 CA LEU A 83 -1.769 -6.255 -2.923 1.00 0.00 C ATOM 1366 C LEU A 83 -2.658 -5.665 -4.019 1.00 0.00 C ATOM 1367 O LEU A 83 -3.324 -4.669 -3.771 1.00 0.00 O ATOM 1368 CB LEU A 83 -1.162 -5.103 -2.116 1.00 0.00 C ATOM 1369 CG LEU A 83 -1.555 -5.057 -0.641 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -0.449 -4.408 0.178 1.00 0.00 C ATOM 1371 CD2 LEU A 83 -2.866 -4.305 -0.464 1.00 0.00 C ATOM 0 H LEU A 83 -0.611 -7.106 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.395 -6.897 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.076 -5.168 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.455 -4.162 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.696 -6.077 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.741 -4.381 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.469 -4.986 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.281 -3.391 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.132 -4.281 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.753 -3.286 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.653 -4.809 -1.025 1.00 0.00 H new ATOM 1383 N LEU A 84 -2.678 -6.227 -5.233 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.499 -5.619 -6.279 1.00 0.00 C ATOM 1385 C LEU A 84 -4.962 -5.444 -5.811 1.00 0.00 C ATOM 1386 O LEU A 84 -5.395 -4.332 -5.509 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.385 -6.403 -7.611 1.00 0.00 C ATOM 1388 CG LEU A 84 -3.685 -5.576 -8.861 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -4.582 -4.447 -8.468 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -2.422 -5.034 -9.511 1.00 0.00 C ATOM 0 H LEU A 84 -2.160 -7.063 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.114 -4.618 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.377 -6.810 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.069 -7.251 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.166 -6.220 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.810 -3.842 -9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.507 -4.845 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.084 -3.830 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.688 -4.454 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.894 -4.396 -8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.778 -5.864 -9.802 1.00 0.00 H new ATOM 1402 N PRO A 85 -5.718 -6.538 -5.731 1.00 0.00 N ATOM 1403 CA PRO A 85 -7.116 -6.573 -5.291 1.00 0.00 C ATOM 1404 C PRO A 85 -7.419 -5.631 -4.123 1.00 0.00 C ATOM 1405 O PRO A 85 -8.452 -4.963 -4.115 1.00 0.00 O ATOM 1406 CB PRO A 85 -7.276 -8.046 -4.837 1.00 0.00 C ATOM 1407 CG PRO A 85 -5.897 -8.630 -4.947 1.00 0.00 C ATOM 1408 CD PRO A 85 -5.273 -7.862 -6.053 1.00 0.00 C ATOM 0 HA PRO A 85 -7.796 -6.249 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.652 -8.107 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.984 -8.581 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.339 -8.517 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.931 -9.696 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.186 -7.946 -6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.620 -8.190 -7.033 1.00 0.00 H new ATOM 1416 N TYR A 86 -6.531 -5.593 -3.132 1.00 0.00 N ATOM 1417 CA TYR A 86 -6.733 -4.743 -1.960 1.00 0.00 C ATOM 1418 C TYR A 86 -6.636 -3.262 -2.309 1.00 0.00 C ATOM 1419 O TYR A 86 -7.612 -2.526 -2.186 1.00 0.00 O ATOM 1420 CB TYR A 86 -5.730 -5.101 -0.864 1.00 0.00 C ATOM 1421 CG TYR A 86 -6.328 -5.967 0.220 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -7.195 -5.431 1.164 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -6.035 -7.322 0.294 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -7.751 -6.220 2.152 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -6.588 -8.119 1.278 1.00 0.00 C ATOM 1426 CZ TYR A 86 -7.445 -7.564 2.205 1.00 0.00 C ATOM 1427 OH TYR A 86 -7.998 -8.357 3.185 1.00 0.00 O ATOM 0 H TYR A 86 -5.669 -6.138 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.742 -4.926 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.882 -5.620 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.344 -4.184 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.438 -4.380 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.364 -7.760 -0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.422 -5.787 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.350 -9.172 1.321 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.846 -8.730 2.865 1.00 0.00 H new ATOM 1437 N GLU A 87 -5.460 -2.828 -2.744 1.00 0.00 N ATOM 1438 CA GLU A 87 -5.252 -1.425 -3.110 1.00 0.00 C ATOM 1439 C GLU A 87 -6.366 -0.939 -4.028 1.00 0.00 C ATOM 1440 O GLU A 87 -6.883 0.168 -3.872 1.00 0.00 O ATOM 1441 CB GLU A 87 -3.904 -1.241 -3.809 1.00 0.00 C ATOM 1442 CG GLU A 87 -2.814 -2.152 -3.283 1.00 0.00 C ATOM 1443 CD GLU A 87 -1.425 -1.715 -3.708 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -1.321 -0.801 -4.553 1.00 0.00 O ATOM 1445 OE2 GLU A 87 -0.440 -2.286 -3.195 1.00 0.00 O ATOM 0 H GLU A 87 -4.637 -3.421 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.261 -0.837 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.031 -1.421 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.585 -0.205 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.864 -2.179 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.994 -3.167 -3.636 1.00 0.00 H new ATOM 1452 N ARG A 88 -6.724 -1.781 -4.987 1.00 0.00 N ATOM 1453 CA ARG A 88 -7.775 -1.454 -5.948 1.00 0.00 C ATOM 1454 C ARG A 88 -9.168 -1.775 -5.403 1.00 0.00 C ATOM 1455 O ARG A 88 -10.152 -1.731 -6.141 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.547 -2.218 -7.250 1.00 0.00 C ATOM 1457 CG ARG A 88 -7.965 -1.446 -8.491 1.00 0.00 C ATOM 1458 CD ARG A 88 -8.031 -2.348 -9.713 1.00 0.00 C ATOM 1459 NE ARG A 88 -7.763 -1.616 -10.949 1.00 0.00 N ATOM 1460 CZ ARG A 88 -6.543 -1.282 -11.363 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -5.477 -1.610 -10.644 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -6.389 -0.618 -12.500 1.00 0.00 N ATOM 0 H ARG A 88 -6.302 -2.700 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.727 -0.381 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.491 -2.474 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.101 -3.156 -7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.939 -0.986 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.258 -0.637 -8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.308 -3.156 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.017 -2.808 -9.771 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.558 -1.345 -11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.590 -2.121 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.545 -1.351 -10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.205 -0.364 -13.057 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.454 -0.361 -12.818 1.00 0.00 H new ATOM 1476 N HIS A 89 -9.250 -2.107 -4.118 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.528 -2.443 -3.497 1.00 0.00 C ATOM 1478 C HIS A 89 -11.220 -1.213 -2.910 1.00 0.00 C ATOM 1479 O HIS A 89 -12.397 -0.971 -3.177 1.00 0.00 O ATOM 1480 CB HIS A 89 -10.330 -3.496 -2.402 1.00 0.00 C ATOM 1481 CG HIS A 89 -11.253 -4.668 -2.527 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -11.643 -5.193 -3.741 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -11.864 -5.420 -1.581 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -12.454 -6.215 -3.537 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -12.604 -6.374 -2.235 1.00 0.00 N ATOM 0 H HIS A 89 -8.449 -2.151 -3.488 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.170 -2.847 -4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.300 -3.850 -2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.479 -3.029 -1.428 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.784 -5.293 -0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.916 -6.818 -4.305 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.177 -7.090 -1.787 1.00 0.00 H new