USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 515 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 26 CYS SG : rot 167:sc= -0.631 USER MOD Set 1.2: A 28 CYS SG : rot 104:sc= 1.49 USER MOD Set 1.3: A 53 CYS SG : rot -172:sc= -1.7 USER MOD Set 1.4: A 58 CYS SG : rot 102:sc= -0.262 USER MOD Set 2.1: A 8 CYS SG : rot -179:sc= -0.62 USER MOD Set 2.2: A 11 CYS SG : rot 115:sc= 0.863 USER MOD Set 2.3: A 15 TYR OH : rot 30:sc= 0.503 USER MOD Set 2.4: A 31 CYS SG : rot -130:sc= -0.612 USER MOD Set 2.5: A 34 CYS SG : rot 76:sc= -0.354 USER MOD Single : A 7 SER OG : rot 150:sc= -0.336 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.000614 X(o=-0.00061,f=-0.026) USER MOD Single : A 20 MET CE :methyl 150:sc= -0.644 (180deg=-3.05!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -4.94! C(o=-4.9!,f=-8.8!) USER MOD Single : A 27 GLN :FLIP amide:sc= 0.0847 F(o=-0.64,f=0.085) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 38 TYR OH : rot 67:sc= -1.55! USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -1.12 (180deg=-2.94!) USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.391 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0712 F(o=-1,f=-0.071) USER MOD Single : A 63 HIS : no HD1:sc= -0.0804 X(o=-0.08,f=-0.054) USER MOD Single : A 65 GLN :FLIP amide:sc= -7.4! C(o=-15!,f=-7.4!) USER MOD Single : A 67 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0419 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.155 -5.206 0.204 1.00 0.00 N ATOM 92 CA SER A 7 -14.180 -3.789 -0.139 1.00 0.00 C ATOM 93 C SER A 7 -12.803 -3.315 -0.592 1.00 0.00 C ATOM 94 O SER A 7 -12.614 -2.926 -1.744 1.00 0.00 O ATOM 95 CB SER A 7 -14.650 -2.961 1.058 1.00 0.00 C ATOM 96 OG SER A 7 -15.385 -1.826 0.635 1.00 0.00 O ATOM 0 HA SER A 7 -14.880 -3.652 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.269 -3.577 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.788 -2.642 1.645 1.00 0.00 H new ATOM 0 HG SER A 7 -16.050 -1.594 1.317 1.00 0.00 H new ATOM 102 N CYS A 8 -11.842 -3.350 0.325 1.00 0.00 N ATOM 103 CA CYS A 8 -10.480 -2.924 0.023 1.00 0.00 C ATOM 104 C CYS A 8 -10.109 -3.268 -1.415 1.00 0.00 C ATOM 105 O CYS A 8 -10.410 -4.357 -1.904 1.00 0.00 O ATOM 106 CB CYS A 8 -9.492 -3.584 0.988 1.00 0.00 C ATOM 107 SG CYS A 8 -7.840 -2.816 0.999 1.00 0.00 S ATOM 0 H CYS A 8 -11.981 -3.669 1.284 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.429 -1.842 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.905 -3.547 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.390 -4.637 0.724 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.070 -3.454 1.830 1.00 0.00 H new ATOM 112 N LYS A 9 -9.454 -2.329 -2.091 1.00 0.00 N ATOM 113 CA LYS A 9 -9.039 -2.532 -3.475 1.00 0.00 C ATOM 114 C LYS A 9 -7.527 -2.718 -3.568 1.00 0.00 C ATOM 115 O LYS A 9 -6.935 -2.549 -4.635 1.00 0.00 O ATOM 116 CB LYS A 9 -9.470 -1.342 -4.336 1.00 0.00 C ATOM 117 CG LYS A 9 -10.857 -0.820 -4.001 1.00 0.00 C ATOM 118 CD LYS A 9 -11.926 -1.502 -4.838 1.00 0.00 C ATOM 119 CE LYS A 9 -12.413 -0.600 -5.962 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.879 -0.738 -6.188 1.00 0.00 N ATOM 0 H LYS A 9 -9.199 -1.421 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.522 -3.436 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.748 -0.535 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.445 -1.635 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.063 -0.983 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.893 0.256 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.527 -2.425 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.767 -1.778 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.178 0.437 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.879 -0.844 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.172 -0.107 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.100 -1.722 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.390 -0.481 -5.319 1.00 0.00 H new ATOM 134 N LEU A 10 -6.909 -3.068 -2.446 1.00 0.00 N ATOM 135 CA LEU A 10 -5.466 -3.281 -2.401 1.00 0.00 C ATOM 136 C LEU A 10 -5.138 -4.756 -2.194 1.00 0.00 C ATOM 137 O LEU A 10 -4.074 -5.228 -2.593 1.00 0.00 O ATOM 138 CB LEU A 10 -4.843 -2.446 -1.281 1.00 0.00 C ATOM 139 CG LEU A 10 -4.914 -0.928 -1.456 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.265 -0.255 -0.138 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.597 -0.391 -1.997 1.00 0.00 C ATOM 0 H LEU A 10 -7.384 -3.211 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.047 -2.967 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.335 -2.707 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.796 -2.732 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.699 -0.701 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.311 0.825 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.233 -0.617 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.503 -0.490 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.666 0.690 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.793 -0.629 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.387 -0.849 -2.964 1.00 0.00 H new ATOM 153 N CYS A 11 -6.062 -5.479 -1.568 1.00 0.00 N ATOM 154 CA CYS A 11 -5.872 -6.901 -1.309 1.00 0.00 C ATOM 155 C CYS A 11 -7.151 -7.681 -1.600 1.00 0.00 C ATOM 156 O CYS A 11 -7.228 -8.885 -1.349 1.00 0.00 O ATOM 157 CB CYS A 11 -5.445 -7.124 0.143 1.00 0.00 C ATOM 158 SG CYS A 11 -6.698 -6.632 1.371 1.00 0.00 S ATOM 0 H CYS A 11 -6.949 -5.103 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.086 -7.264 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.209 -8.179 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.528 -6.565 0.331 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.116 -7.684 2.009 1.00 0.00 H new ATOM 163 N LEU A 12 -8.152 -6.989 -2.132 1.00 0.00 N ATOM 164 CA LEU A 12 -9.428 -7.616 -2.457 1.00 0.00 C ATOM 165 C LEU A 12 -9.787 -8.686 -1.431 1.00 0.00 C ATOM 166 O LEU A 12 -9.861 -9.871 -1.753 1.00 0.00 O ATOM 167 CB LEU A 12 -9.374 -8.232 -3.856 1.00 0.00 C ATOM 168 CG LEU A 12 -9.090 -7.265 -5.006 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.595 -7.015 -5.136 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.657 -7.806 -6.310 1.00 0.00 C ATOM 0 H LEU A 12 -8.105 -5.993 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.199 -6.846 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.606 -9.006 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.326 -8.726 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.579 -6.316 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.412 -6.325 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.216 -6.583 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.084 -7.958 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.446 -7.105 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.197 -8.768 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.735 -7.933 -6.213 1.00 0.00 H new ATOM 182 N GLY A 13 -10.011 -8.258 -0.192 1.00 0.00 N ATOM 183 CA GLY A 13 -10.362 -9.192 0.862 1.00 0.00 C ATOM 184 C GLY A 13 -11.426 -8.643 1.793 1.00 0.00 C ATOM 185 O GLY A 13 -11.463 -7.443 2.064 1.00 0.00 O ATOM 0 H GLY A 13 -9.956 -7.282 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.718 -10.121 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.470 -9.436 1.439 1.00 0.00 H new ATOM 189 N GLU A 14 -12.294 -9.523 2.283 1.00 0.00 N ATOM 190 CA GLU A 14 -13.364 -9.118 3.185 1.00 0.00 C ATOM 191 C GLU A 14 -12.829 -8.892 4.597 1.00 0.00 C ATOM 192 O GLU A 14 -12.221 -9.782 5.192 1.00 0.00 O ATOM 193 CB GLU A 14 -14.469 -10.176 3.210 1.00 0.00 C ATOM 194 CG GLU A 14 -13.945 -11.601 3.269 1.00 0.00 C ATOM 195 CD GLU A 14 -14.591 -12.416 4.373 1.00 0.00 C ATOM 196 OE1 GLU A 14 -14.660 -11.916 5.515 1.00 0.00 O ATOM 197 OE2 GLU A 14 -15.028 -13.552 4.094 1.00 0.00 O ATOM 0 H GLU A 14 -12.276 -10.520 2.070 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.778 -8.179 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.112 -9.998 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.090 -10.062 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.123 -12.089 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.866 -11.581 3.421 1.00 0.00 H new ATOM 204 N TYR A 15 -13.060 -7.696 5.125 1.00 0.00 N ATOM 205 CA TYR A 15 -12.598 -7.351 6.465 1.00 0.00 C ATOM 206 C TYR A 15 -13.606 -6.450 7.174 1.00 0.00 C ATOM 207 O TYR A 15 -14.330 -5.674 6.549 1.00 0.00 O ATOM 208 CB TYR A 15 -11.237 -6.655 6.396 1.00 0.00 C ATOM 209 CG TYR A 15 -10.269 -7.314 5.441 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.520 -8.418 5.831 1.00 0.00 C ATOM 211 CD2 TYR A 15 -10.101 -6.833 4.148 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.633 -9.024 4.963 1.00 0.00 C ATOM 213 CE2 TYR A 15 -9.217 -7.434 3.272 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.486 -8.528 3.684 1.00 0.00 C ATOM 215 OH TYR A 15 -7.603 -9.128 2.815 1.00 0.00 O ATOM 0 H TYR A 15 -13.564 -6.949 4.647 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.498 -8.275 7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.383 -5.618 6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.796 -6.637 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -9.634 -8.809 6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.671 -5.975 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.058 -9.880 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.099 -7.049 2.270 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.533 -10.082 3.027 1.00 0.00 H new ATOM 225 N PRO A 16 -13.656 -6.557 8.509 1.00 0.00 N ATOM 226 CA PRO A 16 -14.570 -5.760 9.333 1.00 0.00 C ATOM 227 C PRO A 16 -14.184 -4.285 9.367 1.00 0.00 C ATOM 228 O PRO A 16 -13.067 -3.916 9.004 1.00 0.00 O ATOM 229 CB PRO A 16 -14.426 -6.381 10.725 1.00 0.00 C ATOM 230 CG PRO A 16 -13.069 -6.995 10.727 1.00 0.00 C ATOM 231 CD PRO A 16 -12.823 -7.461 9.319 1.00 0.00 C ATOM 0 HA PRO A 16 -15.589 -5.779 8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.521 -5.627 11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.199 -7.128 10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.314 -6.272 11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.019 -7.828 11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.770 -7.386 9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.113 -8.503 9.184 1.00 0.00 H new ATOM 239 N VAL A 17 -15.115 -3.444 9.804 1.00 0.00 N ATOM 240 CA VAL A 17 -14.873 -2.009 9.887 1.00 0.00 C ATOM 241 C VAL A 17 -13.843 -1.686 10.964 1.00 0.00 C ATOM 242 O VAL A 17 -13.223 -0.624 10.945 1.00 0.00 O ATOM 243 CB VAL A 17 -16.171 -1.235 10.185 1.00 0.00 C ATOM 244 CG1 VAL A 17 -15.898 -0.081 11.137 1.00 0.00 C ATOM 245 CG2 VAL A 17 -16.803 -0.736 8.894 1.00 0.00 C ATOM 0 H VAL A 17 -16.045 -3.732 10.107 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.489 -1.698 8.916 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.875 -1.913 10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.827 0.454 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -15.495 -0.469 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.176 0.600 10.686 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.719 -0.192 9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.106 -0.074 8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.037 -1.585 8.252 1.00 0.00 H new ATOM 255 N GLU A 18 -13.667 -2.612 11.902 1.00 0.00 N ATOM 256 CA GLU A 18 -12.711 -2.426 12.988 1.00 0.00 C ATOM 257 C GLU A 18 -11.320 -2.899 12.576 1.00 0.00 C ATOM 258 O GLU A 18 -10.524 -3.320 13.415 1.00 0.00 O ATOM 259 CB GLU A 18 -13.170 -3.181 14.236 1.00 0.00 C ATOM 260 CG GLU A 18 -13.110 -4.692 14.090 1.00 0.00 C ATOM 261 CD GLU A 18 -12.070 -5.324 14.994 1.00 0.00 C ATOM 262 OE1 GLU A 18 -11.361 -6.243 14.529 1.00 0.00 O ATOM 263 OE2 GLU A 18 -11.963 -4.901 16.164 1.00 0.00 O ATOM 0 H GLU A 18 -14.173 -3.497 11.932 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.661 -1.361 13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.549 -2.881 15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.193 -2.888 14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.089 -5.114 14.317 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.887 -4.945 13.053 1.00 0.00 H new ATOM 270 N GLN A 19 -11.037 -2.828 11.280 1.00 0.00 N ATOM 271 CA GLN A 19 -9.743 -3.251 10.757 1.00 0.00 C ATOM 272 C GLN A 19 -9.392 -2.484 9.486 1.00 0.00 C ATOM 273 O GLN A 19 -8.509 -2.888 8.730 1.00 0.00 O ATOM 274 CB GLN A 19 -9.751 -4.755 10.474 1.00 0.00 C ATOM 275 CG GLN A 19 -9.572 -5.609 11.719 1.00 0.00 C ATOM 276 CD GLN A 19 -9.158 -7.031 11.396 1.00 0.00 C ATOM 277 OE1 GLN A 19 -8.117 -7.262 10.781 1.00 0.00 O ATOM 278 NE2 GLN A 19 -9.973 -7.994 11.810 1.00 0.00 N ATOM 0 H GLN A 19 -11.685 -2.482 10.573 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.986 -3.034 11.511 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.692 -5.021 9.993 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.955 -4.987 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.820 -5.153 12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.506 -5.625 12.281 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.826 -7.757 12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.746 -8.970 11.621 1.00 0.00 H new ATOM 287 N MET A 20 -10.090 -1.376 9.258 1.00 0.00 N ATOM 288 CA MET A 20 -9.852 -0.553 8.079 1.00 0.00 C ATOM 289 C MET A 20 -9.760 0.923 8.455 1.00 0.00 C ATOM 290 O MET A 20 -9.982 1.295 9.607 1.00 0.00 O ATOM 291 CB MET A 20 -10.966 -0.761 7.051 1.00 0.00 C ATOM 292 CG MET A 20 -11.829 -1.981 7.329 1.00 0.00 C ATOM 293 SD MET A 20 -12.474 -2.732 5.822 1.00 0.00 S ATOM 294 CE MET A 20 -10.953 -3.109 4.953 1.00 0.00 C ATOM 0 H MET A 20 -10.825 -1.028 9.874 1.00 0.00 H new ATOM 0 HA MET A 20 -8.902 -0.858 7.641 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.600 0.125 7.030 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.522 -0.858 6.060 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.243 -2.719 7.876 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.661 -1.694 7.972 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.100 -3.989 4.327 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.671 -2.262 4.328 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.161 -3.306 5.675 1.00 0.00 H new ATOM 304 N THR A 21 -9.430 1.759 7.476 1.00 0.00 N ATOM 305 CA THR A 21 -9.308 3.194 7.705 1.00 0.00 C ATOM 306 C THR A 21 -9.878 3.988 6.535 1.00 0.00 C ATOM 307 O THR A 21 -9.773 3.574 5.381 1.00 0.00 O ATOM 308 CB THR A 21 -7.840 3.604 7.923 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.366 3.085 9.170 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.693 5.118 7.909 1.00 0.00 C ATOM 0 H THR A 21 -9.242 1.467 6.517 1.00 0.00 H new ATOM 0 HA THR A 21 -9.879 3.421 8.606 1.00 0.00 H new ATOM 0 HB THR A 21 -7.246 3.190 7.109 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.431 3.349 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.647 5.383 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.027 5.507 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.300 5.550 8.705 1.00 0.00 H new ATOM 318 N THR A 22 -10.481 5.132 6.842 1.00 0.00 N ATOM 319 CA THR A 22 -11.068 5.985 5.816 1.00 0.00 C ATOM 320 C THR A 22 -10.040 6.960 5.256 1.00 0.00 C ATOM 321 O THR A 22 -9.295 7.591 6.008 1.00 0.00 O ATOM 322 CB THR A 22 -12.268 6.781 6.366 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.255 5.882 6.885 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.885 7.648 5.279 1.00 0.00 C ATOM 0 H THR A 22 -10.576 5.489 7.793 1.00 0.00 H new ATOM 0 HA THR A 22 -11.412 5.327 5.018 1.00 0.00 H new ATOM 0 HB THR A 22 -11.911 7.429 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.013 6.395 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.730 8.200 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.139 8.350 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.229 7.016 4.460 1.00 0.00 H new ATOM 332 N ILE A 23 -10.003 7.081 3.934 1.00 0.00 N ATOM 333 CA ILE A 23 -9.066 7.982 3.275 1.00 0.00 C ATOM 334 C ILE A 23 -9.125 9.378 3.885 1.00 0.00 C ATOM 335 O ILE A 23 -8.103 10.052 4.018 1.00 0.00 O ATOM 336 CB ILE A 23 -9.348 8.081 1.764 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.273 6.697 1.117 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.365 9.036 1.103 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.884 6.099 1.131 1.00 0.00 C ATOM 0 H ILE A 23 -10.611 6.566 3.297 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.070 7.565 3.423 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.355 8.473 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.955 6.024 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.619 6.767 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.577 9.095 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.464 10.026 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.348 8.672 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.905 5.118 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.202 6.751 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.542 5.996 2.161 1.00 0.00 H new ATOM 351 N ALA A 24 -10.327 9.806 4.255 1.00 0.00 N ATOM 352 CA ALA A 24 -10.519 11.121 4.854 1.00 0.00 C ATOM 353 C ALA A 24 -10.619 12.203 3.784 1.00 0.00 C ATOM 354 O ALA A 24 -10.267 13.359 4.023 1.00 0.00 O ATOM 355 CB ALA A 24 -9.383 11.432 5.818 1.00 0.00 C ATOM 0 H ALA A 24 -11.183 9.261 4.151 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.458 11.107 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.539 12.417 6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.360 10.681 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.435 11.421 5.279 1.00 0.00 H new ATOM 361 N GLN A 25 -11.099 11.820 2.606 1.00 0.00 N ATOM 362 CA GLN A 25 -11.243 12.759 1.499 1.00 0.00 C ATOM 363 C GLN A 25 -12.263 12.252 0.484 1.00 0.00 C ATOM 364 O GLN A 25 -13.273 12.906 0.225 1.00 0.00 O ATOM 365 CB GLN A 25 -9.894 12.985 0.815 1.00 0.00 C ATOM 366 CG GLN A 25 -9.199 14.266 1.246 1.00 0.00 C ATOM 367 CD GLN A 25 -8.355 14.081 2.493 1.00 0.00 C ATOM 368 OE1 GLN A 25 -7.987 12.961 2.847 1.00 0.00 O ATOM 369 NE2 GLN A 25 -8.044 15.183 3.165 1.00 0.00 N ATOM 0 H GLN A 25 -11.395 10.867 2.393 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.600 13.706 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.242 12.138 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.043 13.008 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.566 14.623 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.947 15.037 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.371 16.091 2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.478 15.122 4.011 1.00 0.00 H new ATOM 378 N CYS A 26 -11.991 11.083 -0.086 1.00 0.00 N ATOM 379 CA CYS A 26 -12.884 10.488 -1.073 1.00 0.00 C ATOM 380 C CYS A 26 -13.891 9.556 -0.404 1.00 0.00 C ATOM 381 O CYS A 26 -14.794 9.033 -1.056 1.00 0.00 O ATOM 382 CB CYS A 26 -12.078 9.718 -2.121 1.00 0.00 C ATOM 383 SG CYS A 26 -10.770 8.660 -1.425 1.00 0.00 S ATOM 0 H CYS A 26 -11.159 10.529 0.119 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.431 11.293 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.759 9.098 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.625 10.430 -2.811 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.337 7.846 -2.341 1.00 0.00 H new ATOM 388 N GLN A 27 -13.726 9.355 0.899 1.00 0.00 N ATOM 389 CA GLN A 27 -14.620 8.485 1.656 1.00 0.00 C ATOM 390 C GLN A 27 -14.549 7.052 1.142 1.00 0.00 C ATOM 391 O GLN A 27 -15.528 6.521 0.613 1.00 0.00 O ATOM 392 CB GLN A 27 -16.059 9.000 1.571 1.00 0.00 C ATOM 393 CG GLN A 27 -16.356 10.135 2.538 1.00 0.00 C ATOM 394 CD GLN A 27 -15.506 11.363 2.278 1.00 0.00 C ATOM 395 OE1 GLN A 27 -14.732 11.771 3.277 1.00 0.00 O flip ATOM 396 NE2 GLN A 27 -15.543 11.938 1.189 1.00 0.00 N flip ATOM 0 H GLN A 27 -12.983 9.782 1.452 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.299 8.494 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.255 9.339 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.744 8.176 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.409 10.405 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.187 9.791 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.153 11.590 0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.964 12.762 1.027 1.00 0.00 H new ATOM 405 N CYS A 28 -13.386 6.429 1.298 1.00 0.00 N ATOM 406 CA CYS A 28 -13.187 5.057 0.849 1.00 0.00 C ATOM 407 C CYS A 28 -12.873 4.138 2.027 1.00 0.00 C ATOM 408 O CYS A 28 -12.838 4.578 3.177 1.00 0.00 O ATOM 409 CB CYS A 28 -12.054 4.993 -0.177 1.00 0.00 C ATOM 410 SG CYS A 28 -12.509 5.619 -1.826 1.00 0.00 S ATOM 0 H CYS A 28 -12.566 6.853 1.732 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.111 4.717 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.207 5.568 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.722 3.959 -0.271 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.992 6.799 -2.000 1.00 0.00 H new ATOM 415 N ILE A 29 -12.643 2.864 1.732 1.00 0.00 N ATOM 416 CA ILE A 29 -12.330 1.885 2.766 1.00 0.00 C ATOM 417 C ILE A 29 -11.155 1.006 2.353 1.00 0.00 C ATOM 418 O ILE A 29 -11.148 0.433 1.263 1.00 0.00 O ATOM 419 CB ILE A 29 -13.543 0.988 3.079 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.650 0.745 4.585 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.433 -0.331 2.329 1.00 0.00 C ATOM 422 CD1 ILE A 29 -15.027 0.304 5.030 1.00 0.00 C ATOM 0 H ILE A 29 -12.667 2.485 0.785 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.064 2.447 3.661 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.448 1.497 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.923 -0.014 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.383 1.661 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.297 -0.954 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.401 -0.138 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.522 -0.847 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.029 0.150 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.756 1.072 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.290 -0.628 4.530 1.00 0.00 H new ATOM 434 N PHE A 30 -10.163 0.902 3.232 1.00 0.00 N ATOM 435 CA PHE A 30 -8.983 0.091 2.959 1.00 0.00 C ATOM 436 C PHE A 30 -8.354 -0.408 4.257 1.00 0.00 C ATOM 437 O PHE A 30 -8.110 0.369 5.180 1.00 0.00 O ATOM 438 CB PHE A 30 -7.957 0.898 2.160 1.00 0.00 C ATOM 439 CG PHE A 30 -8.469 1.366 0.827 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.479 0.513 -0.264 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.942 2.659 0.667 1.00 0.00 C ATOM 442 CE1 PHE A 30 -8.950 0.941 -1.492 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.414 3.092 -0.557 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.418 2.233 -1.638 1.00 0.00 C ATOM 0 H PHE A 30 -10.153 1.369 4.139 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.294 -0.772 2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.651 1.764 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.068 0.287 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.115 -0.498 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.942 3.336 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.952 0.266 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.780 4.102 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.786 2.570 -2.596 1.00 0.00 H new ATOM 454 N CYS A 31 -8.095 -1.710 4.319 1.00 0.00 N ATOM 455 CA CYS A 31 -7.495 -2.315 5.502 1.00 0.00 C ATOM 456 C CYS A 31 -6.167 -1.645 5.843 1.00 0.00 C ATOM 457 O CYS A 31 -5.292 -1.504 4.988 1.00 0.00 O ATOM 458 CB CYS A 31 -7.281 -3.813 5.282 1.00 0.00 C ATOM 459 SG CYS A 31 -5.876 -4.212 4.194 1.00 0.00 S ATOM 0 H CYS A 31 -8.291 -2.366 3.563 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.179 -2.171 6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.126 -4.293 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.189 -4.240 4.856 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.264 -5.041 3.271 1.00 0.00 H new ATOM 464 N THR A 32 -6.023 -1.234 7.098 1.00 0.00 N ATOM 465 CA THR A 32 -4.803 -0.578 7.552 1.00 0.00 C ATOM 466 C THR A 32 -3.578 -1.140 6.839 1.00 0.00 C ATOM 467 O THR A 32 -2.757 -0.390 6.310 1.00 0.00 O ATOM 468 CB THR A 32 -4.613 -0.736 9.073 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.845 -0.462 9.751 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.529 0.203 9.583 1.00 0.00 C ATOM 0 H THR A 32 -6.736 -1.344 7.819 1.00 0.00 H new ATOM 0 HA THR A 32 -4.906 0.480 7.313 1.00 0.00 H new ATOM 0 HB THR A 32 -4.307 -1.763 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.717 -0.566 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.412 0.074 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.586 -0.026 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.811 1.234 9.370 1.00 0.00 H new ATOM 478 N LEU A 33 -3.462 -2.464 6.826 1.00 0.00 N ATOM 479 CA LEU A 33 -2.338 -3.126 6.177 1.00 0.00 C ATOM 480 C LEU A 33 -1.970 -2.424 4.873 1.00 0.00 C ATOM 481 O LEU A 33 -0.910 -1.809 4.763 1.00 0.00 O ATOM 482 CB LEU A 33 -2.673 -4.594 5.901 1.00 0.00 C ATOM 483 CG LEU A 33 -2.535 -5.547 7.088 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.729 -6.486 7.160 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.238 -6.337 6.988 1.00 0.00 C ATOM 0 H LEU A 33 -4.133 -3.099 7.258 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.482 -3.075 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.698 -4.649 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.027 -4.949 5.098 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.508 -4.956 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.613 -7.157 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.643 -5.904 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.788 -7.071 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.156 -7.011 7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.236 -6.918 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.392 -5.649 6.986 1.00 0.00 H new ATOM 497 N CYS A 34 -2.856 -2.518 3.886 1.00 0.00 N ATOM 498 CA CYS A 34 -2.628 -1.891 2.591 1.00 0.00 C ATOM 499 C CYS A 34 -2.562 -0.372 2.725 1.00 0.00 C ATOM 500 O CYS A 34 -1.527 0.241 2.466 1.00 0.00 O ATOM 501 CB CYS A 34 -3.736 -2.281 1.610 1.00 0.00 C ATOM 502 SG CYS A 34 -4.081 -4.068 1.549 1.00 0.00 S ATOM 0 H CYS A 34 -3.739 -3.023 3.960 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.671 -2.245 2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.650 -1.755 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.459 -1.941 0.612 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.753 -4.416 2.606 1.00 0.00 H new ATOM 507 N LEU A 35 -3.675 0.227 3.133 1.00 0.00 N ATOM 508 CA LEU A 35 -3.746 1.675 3.303 1.00 0.00 C ATOM 509 C LEU A 35 -2.509 2.199 4.026 1.00 0.00 C ATOM 510 O LEU A 35 -2.167 3.377 3.921 1.00 0.00 O ATOM 511 CB LEU A 35 -5.006 2.056 4.082 1.00 0.00 C ATOM 512 CG LEU A 35 -5.297 3.552 4.196 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.111 4.236 2.851 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.706 3.783 4.724 1.00 0.00 C ATOM 0 H LEU A 35 -4.540 -0.266 3.352 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.787 2.131 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.862 1.575 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.926 1.644 5.088 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.590 3.987 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.323 5.301 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.084 4.101 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.793 3.798 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.896 4.854 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.428 3.333 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.805 3.328 5.709 1.00 0.00 H new ATOM 526 N LYS A 36 -1.839 1.315 4.758 1.00 0.00 N ATOM 527 CA LYS A 36 -0.637 1.687 5.496 1.00 0.00 C ATOM 528 C LYS A 36 0.613 1.450 4.654 1.00 0.00 C ATOM 529 O LYS A 36 1.256 2.398 4.204 1.00 0.00 O ATOM 530 CB LYS A 36 -0.547 0.889 6.798 1.00 0.00 C ATOM 531 CG LYS A 36 0.687 1.210 7.624 1.00 0.00 C ATOM 532 CD LYS A 36 1.645 0.032 7.677 1.00 0.00 C ATOM 533 CE LYS A 36 1.218 -0.986 8.723 1.00 0.00 C ATOM 534 NZ LYS A 36 2.283 -1.217 9.739 1.00 0.00 N ATOM 0 H LYS A 36 -2.108 0.336 4.856 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.699 2.749 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.436 1.086 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.550 -0.175 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.196 2.075 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.388 1.482 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.690 -0.447 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.650 0.389 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.312 -0.639 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.972 -1.928 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.954 -1.917 10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.140 -1.573 9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.500 -0.323 10.224 1.00 0.00 H new ATOM 548 N GLN A 37 0.949 0.181 4.446 1.00 0.00 N ATOM 549 CA GLN A 37 2.121 -0.178 3.657 1.00 0.00 C ATOM 550 C GLN A 37 2.232 0.699 2.414 1.00 0.00 C ATOM 551 O GLN A 37 3.317 0.870 1.857 1.00 0.00 O ATOM 552 CB GLN A 37 2.058 -1.652 3.252 1.00 0.00 C ATOM 553 CG GLN A 37 3.276 -2.454 3.680 1.00 0.00 C ATOM 554 CD GLN A 37 3.009 -3.946 3.720 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.567 -4.709 2.932 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.150 -4.369 4.640 1.00 0.00 N ATOM 0 H GLN A 37 0.427 -0.615 4.813 1.00 0.00 H new ATOM 0 HA GLN A 37 3.005 -0.015 4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.166 -2.102 3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.952 -1.718 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.098 -2.254 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.598 -2.120 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.711 -3.701 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.930 -5.362 4.714 1.00 0.00 H new ATOM 565 N TYR A 38 1.103 1.251 1.984 1.00 0.00 N ATOM 566 CA TYR A 38 1.072 2.108 0.805 1.00 0.00 C ATOM 567 C TYR A 38 1.521 3.525 1.150 1.00 0.00 C ATOM 568 O TYR A 38 2.455 4.057 0.549 1.00 0.00 O ATOM 569 CB TYR A 38 -0.336 2.139 0.208 1.00 0.00 C ATOM 570 CG TYR A 38 -0.807 3.527 -0.164 1.00 0.00 C ATOM 571 CD1 TYR A 38 -0.024 4.357 -0.958 1.00 0.00 C ATOM 572 CD2 TYR A 38 -2.032 4.009 0.278 1.00 0.00 C ATOM 573 CE1 TYR A 38 -0.450 5.626 -1.300 1.00 0.00 C ATOM 574 CE2 TYR A 38 -2.466 5.276 -0.060 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.671 6.081 -0.849 1.00 0.00 C ATOM 576 OH TYR A 38 -2.099 7.345 -1.187 1.00 0.00 O ATOM 0 H TYR A 38 0.197 1.120 2.434 1.00 0.00 H new ATOM 0 HA TYR A 38 1.763 1.696 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.359 1.507 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.035 1.707 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.933 4.004 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.657 3.382 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.170 6.259 -1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.422 5.634 0.291 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.273 7.385 -2.151 1.00 0.00 H new ATOM 586 N VAL A 39 0.847 4.132 2.123 1.00 0.00 N ATOM 587 CA VAL A 39 1.177 5.487 2.550 1.00 0.00 C ATOM 588 C VAL A 39 2.430 5.500 3.419 1.00 0.00 C ATOM 589 O VAL A 39 3.370 6.249 3.157 1.00 0.00 O ATOM 590 CB VAL A 39 0.016 6.126 3.335 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.232 6.207 2.469 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.259 5.343 4.610 1.00 0.00 C ATOM 0 H VAL A 39 0.070 3.707 2.630 1.00 0.00 H new ATOM 0 HA VAL A 39 1.359 6.068 1.646 1.00 0.00 H new ATOM 0 HB VAL A 39 0.302 7.140 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.042 6.661 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.025 6.814 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.525 5.204 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.082 5.808 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.525 4.317 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.633 5.342 5.236 1.00 0.00 H new ATOM 602 N GLU A 40 2.436 4.664 4.453 1.00 0.00 N ATOM 603 CA GLU A 40 3.574 4.580 5.360 1.00 0.00 C ATOM 604 C GLU A 40 4.885 4.790 4.609 1.00 0.00 C ATOM 605 O GLU A 40 5.848 5.331 5.156 1.00 0.00 O ATOM 606 CB GLU A 40 3.591 3.225 6.069 1.00 0.00 C ATOM 607 CG GLU A 40 3.763 3.326 7.575 1.00 0.00 C ATOM 608 CD GLU A 40 5.198 3.109 8.014 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.093 3.121 7.143 1.00 0.00 O ATOM 610 OE2 GLU A 40 5.426 2.927 9.228 1.00 0.00 O ATOM 0 H GLU A 40 1.666 4.036 4.683 1.00 0.00 H new ATOM 0 HA GLU A 40 3.471 5.370 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.660 2.700 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.400 2.621 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.429 4.308 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.123 2.589 8.060 1.00 0.00 H new ATOM 617 N LEU A 41 4.915 4.359 3.353 1.00 0.00 N ATOM 618 CA LEU A 41 6.109 4.498 2.525 1.00 0.00 C ATOM 619 C LEU A 41 6.169 5.882 1.885 1.00 0.00 C ATOM 620 O LEU A 41 7.220 6.524 1.868 1.00 0.00 O ATOM 621 CB LEU A 41 6.129 3.421 1.439 1.00 0.00 C ATOM 622 CG LEU A 41 7.134 2.286 1.638 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.196 1.879 3.103 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.770 1.092 0.767 1.00 0.00 C ATOM 0 H LEU A 41 4.127 3.911 2.885 1.00 0.00 H new ATOM 0 HA LEU A 41 6.982 4.375 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.131 2.988 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.338 3.901 0.483 1.00 0.00 H new ATOM 0 HG LEU A 41 8.119 2.643 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.916 1.070 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.504 2.734 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.212 1.541 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.496 0.294 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.776 0.735 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.777 1.391 -0.281 1.00 0.00 H new ATOM 636 N LEU A 42 5.035 6.336 1.362 1.00 0.00 N ATOM 637 CA LEU A 42 4.958 7.645 0.724 1.00 0.00 C ATOM 638 C LEU A 42 4.863 8.755 1.766 1.00 0.00 C ATOM 639 O LEU A 42 5.761 9.588 1.883 1.00 0.00 O ATOM 640 CB LEU A 42 3.752 7.706 -0.215 1.00 0.00 C ATOM 641 CG LEU A 42 3.885 6.938 -1.530 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.518 6.707 -2.155 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.794 7.686 -2.494 1.00 0.00 C ATOM 0 H LEU A 42 4.157 5.817 1.367 1.00 0.00 H new ATOM 0 HA LEU A 42 5.870 7.794 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.882 7.324 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.550 8.752 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 42 4.333 5.967 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.633 6.159 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.898 6.129 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.042 7.667 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.877 7.125 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.374 8.671 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.782 7.799 -2.049 1.00 0.00 H new ATOM 655 N ILE A 43 3.769 8.758 2.521 1.00 0.00 N ATOM 656 CA ILE A 43 3.558 9.763 3.556 1.00 0.00 C ATOM 657 C ILE A 43 4.862 10.093 4.275 1.00 0.00 C ATOM 658 O ILE A 43 5.040 11.200 4.784 1.00 0.00 O ATOM 659 CB ILE A 43 2.519 9.295 4.591 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.436 10.360 4.775 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.194 8.984 5.918 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.209 10.130 3.920 1.00 0.00 C ATOM 0 H ILE A 43 3.015 8.076 2.435 1.00 0.00 H new ATOM 0 HA ILE A 43 3.184 10.657 3.057 1.00 0.00 H new ATOM 0 HB ILE A 43 2.048 8.383 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.138 10.386 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.856 11.338 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.445 8.655 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.932 8.195 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.689 9.880 6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.516 10.923 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.493 10.133 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.235 9.167 4.173 1.00 0.00 H new ATOM 674 N LYS A 44 5.773 9.126 4.311 1.00 0.00 N ATOM 675 CA LYS A 44 7.063 9.313 4.965 1.00 0.00 C ATOM 676 C LYS A 44 7.972 10.206 4.126 1.00 0.00 C ATOM 677 O LYS A 44 8.626 11.108 4.651 1.00 0.00 O ATOM 678 CB LYS A 44 7.738 7.961 5.204 1.00 0.00 C ATOM 679 CG LYS A 44 8.054 7.689 6.665 1.00 0.00 C ATOM 680 CD LYS A 44 6.793 7.664 7.513 1.00 0.00 C ATOM 681 CE LYS A 44 6.333 6.241 7.786 1.00 0.00 C ATOM 682 NZ LYS A 44 6.386 5.909 9.236 1.00 0.00 N ATOM 0 H LYS A 44 5.642 8.204 3.895 1.00 0.00 H new ATOM 0 HA LYS A 44 6.889 9.799 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.090 7.169 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.662 7.918 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.573 6.734 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.731 8.456 7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.978 8.175 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.000 8.212 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.314 6.113 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.960 5.544 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.686 4.920 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.065 6.537 9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.443 6.037 9.656 1.00 0.00 H new ATOM 696 N GLU A 45 8.009 9.949 2.823 1.00 0.00 N ATOM 697 CA GLU A 45 8.838 10.731 1.914 1.00 0.00 C ATOM 698 C GLU A 45 8.247 12.120 1.695 1.00 0.00 C ATOM 699 O GLU A 45 8.770 13.116 2.194 1.00 0.00 O ATOM 700 CB GLU A 45 8.983 10.009 0.572 1.00 0.00 C ATOM 701 CG GLU A 45 10.381 10.096 -0.018 1.00 0.00 C ATOM 702 CD GLU A 45 11.051 11.426 0.264 1.00 0.00 C ATOM 703 OE1 GLU A 45 12.234 11.420 0.666 1.00 0.00 O ATOM 704 OE2 GLU A 45 10.395 12.472 0.082 1.00 0.00 O ATOM 0 H GLU A 45 7.475 9.206 2.373 1.00 0.00 H new ATOM 0 HA GLU A 45 9.823 10.842 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.718 8.960 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.271 10.432 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.994 9.291 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.327 9.942 -1.096 1.00 0.00 H new ATOM 711 N GLY A 46 7.151 12.179 0.945 1.00 0.00 N ATOM 712 CA GLY A 46 6.506 13.450 0.672 1.00 0.00 C ATOM 713 C GLY A 46 7.251 14.268 -0.363 1.00 0.00 C ATOM 714 O GLY A 46 7.595 15.427 -0.120 1.00 0.00 O ATOM 0 H GLY A 46 6.698 11.369 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.489 13.270 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.431 14.022 1.597 1.00 0.00 H new ATOM 718 N LEU A 47 7.504 13.667 -1.519 1.00 0.00 N ATOM 719 CA LEU A 47 8.216 14.348 -2.596 1.00 0.00 C ATOM 720 C LEU A 47 7.240 15.045 -3.539 1.00 0.00 C ATOM 721 O LEU A 47 7.560 16.078 -4.124 1.00 0.00 O ATOM 722 CB LEU A 47 9.073 13.351 -3.377 1.00 0.00 C ATOM 723 CG LEU A 47 8.356 12.096 -3.878 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.975 11.612 -5.180 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.402 11.000 -2.823 1.00 0.00 C ATOM 0 H LEU A 47 7.227 12.710 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 47 8.863 15.103 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.503 13.867 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.904 13.042 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 47 7.312 12.347 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.452 10.719 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.890 12.393 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.027 11.377 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.887 10.114 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.440 10.751 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.912 11.349 -1.914 1.00 0.00 H new ATOM 737 N GLU A 48 6.049 14.471 -3.679 1.00 0.00 N ATOM 738 CA GLU A 48 5.026 15.039 -4.550 1.00 0.00 C ATOM 739 C GLU A 48 3.848 14.081 -4.702 1.00 0.00 C ATOM 740 O GLU A 48 2.722 14.501 -4.967 1.00 0.00 O ATOM 741 CB GLU A 48 5.616 15.360 -5.924 1.00 0.00 C ATOM 742 CG GLU A 48 6.664 14.362 -6.386 1.00 0.00 C ATOM 743 CD GLU A 48 6.982 14.489 -7.863 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.060 14.302 -8.685 1.00 0.00 O ATOM 745 OE2 GLU A 48 8.150 14.777 -8.197 1.00 0.00 O ATOM 0 H GLU A 48 5.769 13.614 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 48 4.666 15.961 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.810 15.393 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.062 16.354 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.577 14.506 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.313 13.351 -6.180 1.00 0.00 H new ATOM 752 N THR A 49 4.117 12.790 -4.532 1.00 0.00 N ATOM 753 CA THR A 49 3.081 11.771 -4.652 1.00 0.00 C ATOM 754 C THR A 49 1.778 12.234 -4.009 1.00 0.00 C ATOM 755 O THR A 49 0.698 11.766 -4.369 1.00 0.00 O ATOM 756 CB THR A 49 3.519 10.446 -4.001 1.00 0.00 C ATOM 757 OG1 THR A 49 4.844 10.106 -4.426 1.00 0.00 O ATOM 758 CG2 THR A 49 2.560 9.322 -4.366 1.00 0.00 C ATOM 0 H THR A 49 5.044 12.425 -4.311 1.00 0.00 H new ATOM 0 HA THR A 49 2.919 11.608 -5.718 1.00 0.00 H new ATOM 0 HB THR A 49 3.507 10.576 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.828 9.240 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.889 8.396 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.558 9.571 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.545 9.193 -5.448 1.00 0.00 H new ATOM 766 N ALA A 50 1.888 13.155 -3.057 1.00 0.00 N ATOM 767 CA ALA A 50 0.718 13.682 -2.366 1.00 0.00 C ATOM 768 C ALA A 50 -0.165 12.555 -1.842 1.00 0.00 C ATOM 769 O ALA A 50 -1.334 12.768 -1.517 1.00 0.00 O ATOM 770 CB ALA A 50 -0.077 14.590 -3.293 1.00 0.00 C ATOM 0 H ALA A 50 2.775 13.551 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 50 1.063 14.264 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.948 14.977 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.551 15.421 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.404 14.023 -4.165 1.00 0.00 H new ATOM 776 N ILE A 51 0.401 11.355 -1.763 1.00 0.00 N ATOM 777 CA ILE A 51 -0.335 10.194 -1.277 1.00 0.00 C ATOM 778 C ILE A 51 -1.804 10.267 -1.679 1.00 0.00 C ATOM 779 O ILE A 51 -2.642 10.759 -0.923 1.00 0.00 O ATOM 780 CB ILE A 51 -0.240 10.067 0.254 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.214 9.849 0.680 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.119 8.927 0.748 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.155 10.930 0.197 1.00 0.00 C ATOM 0 H ILE A 51 1.366 11.161 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 51 0.122 9.317 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.596 10.994 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.261 9.797 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.555 8.886 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.040 8.851 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.156 9.121 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.791 7.992 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.167 10.710 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.137 10.968 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.840 11.893 0.598 1.00 0.00 H new ATOM 795 N SER A 52 -2.109 9.773 -2.875 1.00 0.00 N ATOM 796 CA SER A 52 -3.478 9.783 -3.379 1.00 0.00 C ATOM 797 C SER A 52 -4.133 8.417 -3.203 1.00 0.00 C ATOM 798 O SER A 52 -3.460 7.386 -3.222 1.00 0.00 O ATOM 799 CB SER A 52 -3.496 10.185 -4.855 1.00 0.00 C ATOM 800 OG SER A 52 -4.807 10.107 -5.388 1.00 0.00 O ATOM 0 H SER A 52 -1.428 9.361 -3.513 1.00 0.00 H new ATOM 0 HA SER A 52 -4.046 10.514 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.116 11.201 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.830 9.533 -5.421 1.00 0.00 H new ATOM 0 HG SER A 52 -4.793 10.370 -6.332 1.00 0.00 H new ATOM 806 N CYS A 53 -5.450 8.417 -3.033 1.00 0.00 N ATOM 807 CA CYS A 53 -6.198 7.179 -2.852 1.00 0.00 C ATOM 808 C CYS A 53 -5.579 6.045 -3.665 1.00 0.00 C ATOM 809 O CYS A 53 -5.219 6.209 -4.832 1.00 0.00 O ATOM 810 CB CYS A 53 -7.659 7.376 -3.262 1.00 0.00 C ATOM 811 SG CYS A 53 -8.704 5.903 -3.027 1.00 0.00 S ATOM 0 H CYS A 53 -6.022 9.261 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.157 6.911 -1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.078 8.201 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.694 7.669 -4.311 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.874 6.112 -3.554 1.00 0.00 H new ATOM 816 N PRO A 54 -5.451 4.868 -3.036 1.00 0.00 N ATOM 817 CA PRO A 54 -4.875 3.684 -3.683 1.00 0.00 C ATOM 818 C PRO A 54 -5.784 3.117 -4.768 1.00 0.00 C ATOM 819 O PRO A 54 -5.453 2.120 -5.409 1.00 0.00 O ATOM 820 CB PRO A 54 -4.730 2.687 -2.531 1.00 0.00 C ATOM 821 CG PRO A 54 -5.759 3.104 -1.536 1.00 0.00 C ATOM 822 CD PRO A 54 -5.857 4.600 -1.647 1.00 0.00 C ATOM 0 HA PRO A 54 -3.937 3.911 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.898 1.664 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.728 2.721 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.719 2.633 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.471 2.805 -0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.870 4.952 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.201 5.099 -0.934 1.00 0.00 H new ATOM 830 N ASP A 55 -6.930 3.759 -4.968 1.00 0.00 N ATOM 831 CA ASP A 55 -7.887 3.318 -5.977 1.00 0.00 C ATOM 832 C ASP A 55 -7.857 4.240 -7.192 1.00 0.00 C ATOM 833 O ASP A 55 -8.673 5.153 -7.312 1.00 0.00 O ATOM 834 CB ASP A 55 -9.298 3.275 -5.389 1.00 0.00 C ATOM 835 CG ASP A 55 -10.350 2.948 -6.431 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.001 2.311 -7.447 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.522 3.329 -6.230 1.00 0.00 O ATOM 0 H ASP A 55 -7.219 4.586 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.605 2.315 -6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.335 2.530 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.528 4.238 -4.934 1.00 0.00 H new ATOM 842 N ALA A 56 -6.909 3.994 -8.091 1.00 0.00 N ATOM 843 CA ALA A 56 -6.774 4.801 -9.298 1.00 0.00 C ATOM 844 C ALA A 56 -8.113 4.955 -10.009 1.00 0.00 C ATOM 845 O ALA A 56 -8.302 5.871 -10.808 1.00 0.00 O ATOM 846 CB ALA A 56 -5.745 4.183 -10.233 1.00 0.00 C ATOM 0 H ALA A 56 -6.224 3.243 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.433 5.794 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.654 4.796 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.780 4.132 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.063 3.178 -10.511 1.00 0.00 H new ATOM 852 N ALA A 57 -9.042 4.051 -9.714 1.00 0.00 N ATOM 853 CA ALA A 57 -10.365 4.087 -10.325 1.00 0.00 C ATOM 854 C ALA A 57 -11.385 4.727 -9.389 1.00 0.00 C ATOM 855 O ALA A 57 -12.583 4.465 -9.487 1.00 0.00 O ATOM 856 CB ALA A 57 -10.808 2.682 -10.709 1.00 0.00 C ATOM 0 H ALA A 57 -8.902 3.285 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.305 4.697 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.798 2.724 -11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.099 2.259 -11.421 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.845 2.056 -9.818 1.00 0.00 H new ATOM 862 N CYS A 58 -10.901 5.569 -8.482 1.00 0.00 N ATOM 863 CA CYS A 58 -11.769 6.246 -7.526 1.00 0.00 C ATOM 864 C CYS A 58 -12.535 7.382 -8.199 1.00 0.00 C ATOM 865 O CYS A 58 -11.976 8.185 -8.945 1.00 0.00 O ATOM 866 CB CYS A 58 -10.948 6.794 -6.358 1.00 0.00 C ATOM 867 SG CYS A 58 -11.945 7.290 -4.916 1.00 0.00 S ATOM 0 H CYS A 58 -9.912 5.799 -8.389 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.487 5.519 -7.147 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.229 6.036 -6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.375 7.654 -6.703 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.871 6.370 -4.000 1.00 0.00 H new ATOM 872 N PRO A 59 -13.848 7.450 -7.929 1.00 0.00 N ATOM 873 CA PRO A 59 -14.720 8.483 -8.497 1.00 0.00 C ATOM 874 C PRO A 59 -14.430 9.866 -7.924 1.00 0.00 C ATOM 875 O PRO A 59 -14.883 10.878 -8.459 1.00 0.00 O ATOM 876 CB PRO A 59 -16.123 8.022 -8.097 1.00 0.00 C ATOM 877 CG PRO A 59 -15.916 7.196 -6.874 1.00 0.00 C ATOM 878 CD PRO A 59 -14.581 6.525 -7.048 1.00 0.00 C ATOM 0 HA PRO A 59 -14.581 8.587 -9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.776 8.871 -7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.591 7.442 -8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.927 7.816 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.711 6.459 -6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.072 6.390 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.683 5.537 -7.498 1.00 0.00 H new ATOM 886 N LYS A 60 -13.672 9.902 -6.834 1.00 0.00 N ATOM 887 CA LYS A 60 -13.319 11.161 -6.188 1.00 0.00 C ATOM 888 C LYS A 60 -11.806 11.350 -6.155 1.00 0.00 C ATOM 889 O LYS A 60 -11.314 12.477 -6.101 1.00 0.00 O ATOM 890 CB LYS A 60 -13.880 11.202 -4.765 1.00 0.00 C ATOM 891 CG LYS A 60 -15.181 11.978 -4.646 1.00 0.00 C ATOM 892 CD LYS A 60 -14.929 13.436 -4.297 1.00 0.00 C ATOM 893 CE LYS A 60 -16.202 14.122 -3.823 1.00 0.00 C ATOM 894 NZ LYS A 60 -17.068 14.532 -4.963 1.00 0.00 N ATOM 0 H LYS A 60 -13.290 9.073 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.756 11.974 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.042 10.182 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.138 11.649 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.730 11.917 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.809 11.523 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.169 13.499 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.536 13.958 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.756 13.448 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.943 14.999 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.925 14.995 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.548 15.195 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.337 13.692 -5.515 1.00 0.00 H new ATOM 908 N GLN A 61 -11.074 10.242 -6.190 1.00 0.00 N ATOM 909 CA GLN A 61 -9.617 10.287 -6.164 1.00 0.00 C ATOM 910 C GLN A 61 -9.122 11.352 -5.192 1.00 0.00 C ATOM 911 O GLN A 61 -8.515 12.343 -5.596 1.00 0.00 O ATOM 912 CB GLN A 61 -9.071 10.566 -7.567 1.00 0.00 C ATOM 913 CG GLN A 61 -8.922 9.318 -8.420 1.00 0.00 C ATOM 914 CD GLN A 61 -7.657 9.330 -9.256 1.00 0.00 C ATOM 915 OE1 GLN A 61 -6.931 8.217 -9.248 1.00 0.00 O flip ATOM 916 NE2 GLN A 61 -7.334 10.328 -9.901 1.00 0.00 N flip ATOM 0 H GLN A 61 -11.466 9.301 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.254 9.317 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.736 11.266 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.101 11.055 -7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.918 8.440 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.787 9.227 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.921 11.162 -9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.479 10.321 -10.458 1.00 0.00 H new ATOM 925 N GLY A 62 -9.387 11.140 -3.906 1.00 0.00 N ATOM 926 CA GLY A 62 -8.962 12.092 -2.895 1.00 0.00 C ATOM 927 C GLY A 62 -7.541 11.845 -2.428 1.00 0.00 C ATOM 928 O GLY A 62 -6.976 10.778 -2.672 1.00 0.00 O ATOM 0 H GLY A 62 -9.888 10.327 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.039 13.102 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.637 12.036 -2.041 1.00 0.00 H new ATOM 932 N HIS A 63 -6.961 12.833 -1.755 1.00 0.00 N ATOM 933 CA HIS A 63 -5.597 12.718 -1.253 1.00 0.00 C ATOM 934 C HIS A 63 -5.592 12.387 0.237 1.00 0.00 C ATOM 935 O HIS A 63 -6.640 12.369 0.883 1.00 0.00 O ATOM 936 CB HIS A 63 -4.829 14.016 -1.501 1.00 0.00 C ATOM 937 CG HIS A 63 -4.597 14.307 -2.952 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.564 14.842 -3.776 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.499 14.135 -3.724 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.071 14.986 -4.993 1.00 0.00 C ATOM 941 NE2 HIS A 63 -3.819 14.564 -4.989 1.00 0.00 N ATOM 0 H HIS A 63 -7.414 13.722 -1.545 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.106 11.906 -1.789 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.380 14.845 -1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.867 13.962 -0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.548 13.735 -3.405 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.601 15.382 -5.847 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.192 14.558 -5.794 1.00 0.00 H new ATOM 949 N LEU A 64 -4.406 12.126 0.776 1.00 0.00 N ATOM 950 CA LEU A 64 -4.264 11.795 2.190 1.00 0.00 C ATOM 951 C LEU A 64 -3.433 12.849 2.915 1.00 0.00 C ATOM 952 O LEU A 64 -2.691 13.605 2.289 1.00 0.00 O ATOM 953 CB LEU A 64 -3.617 10.418 2.349 1.00 0.00 C ATOM 954 CG LEU A 64 -4.468 9.223 1.924 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.458 8.857 3.019 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.197 9.522 0.622 1.00 0.00 C ATOM 0 H LEU A 64 -3.529 12.137 0.256 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.259 11.775 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.693 10.404 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.340 10.288 3.395 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.807 8.372 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.056 8.004 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.916 8.599 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.113 9.706 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.798 8.659 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.846 10.387 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.470 9.734 -0.162 1.00 0.00 H new ATOM 968 N GLN A 65 -3.562 12.889 4.238 1.00 0.00 N ATOM 969 CA GLN A 65 -2.821 13.849 5.048 1.00 0.00 C ATOM 970 C GLN A 65 -1.471 13.279 5.467 1.00 0.00 C ATOM 971 O GLN A 65 -1.312 12.066 5.598 1.00 0.00 O ATOM 972 CB GLN A 65 -3.631 14.236 6.286 1.00 0.00 C ATOM 973 CG GLN A 65 -5.080 13.777 6.233 1.00 0.00 C ATOM 974 CD GLN A 65 -5.250 12.333 6.663 1.00 0.00 C ATOM 975 OE1 GLN A 65 -4.175 11.559 6.577 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -6.336 11.918 7.068 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.172 12.269 4.771 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.647 14.739 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.155 13.809 7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.606 15.319 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.684 14.417 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.458 13.897 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.136 12.548 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.435 10.944 7.354 1.00 0.00 H new ATOM 985 N GLU A 66 -0.499 14.162 5.676 1.00 0.00 N ATOM 986 CA GLU A 66 0.838 13.746 6.080 1.00 0.00 C ATOM 987 C GLU A 66 0.923 13.583 7.595 1.00 0.00 C ATOM 988 O GLU A 66 1.785 12.869 8.106 1.00 0.00 O ATOM 989 CB GLU A 66 1.879 14.763 5.606 1.00 0.00 C ATOM 990 CG GLU A 66 2.387 14.502 4.198 1.00 0.00 C ATOM 991 CD GLU A 66 3.745 15.127 3.943 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.116 16.060 4.685 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.435 14.683 3.002 1.00 0.00 O ATOM 0 H GLU A 66 -0.613 15.170 5.572 1.00 0.00 H new ATOM 0 HA GLU A 66 1.046 12.782 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.444 15.762 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.723 14.754 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.449 13.427 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.669 14.895 3.478 1.00 0.00 H new ATOM 1000 N ASN A 67 0.023 14.253 8.308 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.003 14.185 9.764 1.00 0.00 C ATOM 1002 C ASN A 67 -0.922 13.063 10.239 1.00 0.00 C ATOM 1003 O ASN A 67 -0.504 12.179 10.985 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.465 15.520 10.349 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.617 16.594 9.290 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.359 17.225 8.885 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.847 16.808 8.836 1.00 0.00 N ATOM 0 H ASN A 67 -0.698 14.849 7.901 1.00 0.00 H new ATOM 0 HA ASN A 67 1.008 13.974 10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.418 15.380 10.859 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.252 15.852 11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.011 17.519 8.123 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.627 16.261 9.200 1.00 0.00 H new ATOM 1014 N GLU A 68 -2.177 13.107 9.801 1.00 0.00 N ATOM 1015 CA GLU A 68 -3.155 12.095 10.182 1.00 0.00 C ATOM 1016 C GLU A 68 -2.615 10.692 9.918 1.00 0.00 C ATOM 1017 O GLU A 68 -2.527 9.869 10.831 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.462 12.303 9.415 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.633 12.691 10.301 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.494 11.504 10.685 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -6.533 11.164 11.886 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.128 10.915 9.785 1.00 0.00 O ATOM 0 H GLU A 68 -2.540 13.832 9.182 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.349 12.197 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.313 13.079 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.710 11.386 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.256 13.169 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.247 13.428 9.783 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.257 10.427 8.667 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.727 9.125 8.284 1.00 0.00 C ATOM 1031 C ILE A 69 -0.533 8.740 9.152 1.00 0.00 C ATOM 1032 O ILE A 69 -0.598 7.784 9.925 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.299 9.103 6.805 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.525 9.214 5.896 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.518 7.834 6.498 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.470 8.297 4.694 1.00 0.00 C ATOM 0 H ILE A 69 -2.324 11.097 7.901 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.530 8.403 8.432 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.651 9.959 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.419 8.986 6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.621 10.244 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.223 7.833 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.372 7.794 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.143 6.964 6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.371 8.429 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.594 8.539 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.405 7.262 5.029 1.00 0.00 H new ATOM 1048 N GLU A 70 0.554 9.493 9.021 1.00 0.00 N ATOM 1049 CA GLU A 70 1.762 9.232 9.795 1.00 0.00 C ATOM 1050 C GLU A 70 1.435 9.068 11.276 1.00 0.00 C ATOM 1051 O GLU A 70 2.121 8.345 11.999 1.00 0.00 O ATOM 1052 CB GLU A 70 2.771 10.366 9.606 1.00 0.00 C ATOM 1053 CG GLU A 70 2.512 11.566 10.503 1.00 0.00 C ATOM 1054 CD GLU A 70 3.664 12.552 10.506 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.602 12.369 9.701 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.629 13.505 11.311 1.00 0.00 O ATOM 0 H GLU A 70 0.623 10.289 8.386 1.00 0.00 H new ATOM 0 HA GLU A 70 2.200 8.302 9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.773 9.986 9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.751 10.690 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.606 12.073 10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.331 11.221 11.521 1.00 0.00 H new ATOM 1063 N CYS A 71 0.381 9.744 11.721 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.037 9.677 13.116 1.00 0.00 C ATOM 1065 C CYS A 71 -0.573 8.289 13.457 1.00 0.00 C ATOM 1066 O CYS A 71 -0.449 7.826 14.589 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.105 10.733 13.402 1.00 0.00 C ATOM 1068 SG CYS A 71 -0.460 12.257 14.128 1.00 0.00 S ATOM 0 H CYS A 71 -0.199 10.345 11.135 1.00 0.00 H new ATOM 0 HA CYS A 71 0.835 9.874 13.740 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.619 10.976 12.472 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.849 10.309 14.076 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.438 13.089 14.331 1.00 0.00 H new ATOM 1074 N MET A 72 -1.169 7.633 12.467 1.00 0.00 N ATOM 1075 CA MET A 72 -1.724 6.298 12.661 1.00 0.00 C ATOM 1076 C MET A 72 -0.652 5.230 12.471 1.00 0.00 C ATOM 1077 O MET A 72 -0.948 4.035 12.456 1.00 0.00 O ATOM 1078 CB MET A 72 -2.880 6.056 11.688 1.00 0.00 C ATOM 1079 CG MET A 72 -2.469 5.308 10.429 1.00 0.00 C ATOM 1080 SD MET A 72 -3.376 5.853 8.971 1.00 0.00 S ATOM 1081 CE MET A 72 -2.847 4.635 7.769 1.00 0.00 C ATOM 0 H MET A 72 -1.280 8.003 11.523 1.00 0.00 H new ATOM 0 HA MET A 72 -2.099 6.233 13.682 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.661 5.491 12.198 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.313 7.016 11.406 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.401 5.447 10.261 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.632 4.240 10.576 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.325 4.838 6.811 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.764 4.685 7.653 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.130 3.639 8.111 1.00 0.00 H new ATOM 1091 N VAL A 73 0.594 5.668 12.325 1.00 0.00 N ATOM 1092 CA VAL A 73 1.711 4.750 12.137 1.00 0.00 C ATOM 1093 C VAL A 73 2.954 5.237 12.873 1.00 0.00 C ATOM 1094 O VAL A 73 3.410 4.607 13.827 1.00 0.00 O ATOM 1095 CB VAL A 73 2.048 4.575 10.645 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.379 3.328 10.088 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.633 5.809 9.857 1.00 0.00 C ATOM 0 H VAL A 73 0.856 6.654 12.333 1.00 0.00 H new ATOM 0 HA VAL A 73 1.402 3.789 12.548 1.00 0.00 H new ATOM 0 HB VAL A 73 3.127 4.454 10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.629 3.222 9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.730 2.452 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.298 3.415 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.879 5.668 8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.559 5.963 9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.164 6.681 10.240 1.00 0.00 H new ATOM 1107 N ALA A 74 3.498 6.363 12.425 1.00 0.00 N ATOM 1108 CA ALA A 74 4.686 6.937 13.043 1.00 0.00 C ATOM 1109 C ALA A 74 4.320 7.778 14.261 1.00 0.00 C ATOM 1110 O ALA A 74 4.954 8.797 14.538 1.00 0.00 O ATOM 1111 CB ALA A 74 5.455 7.776 12.032 1.00 0.00 C ATOM 0 H ALA A 74 3.134 6.896 11.635 1.00 0.00 H new ATOM 0 HA ALA A 74 5.322 6.118 13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.340 8.198 12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.758 7.148 11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.818 8.583 11.669 1.00 0.00 H new ATOM 1117 N ALA A 75 3.294 7.346 14.987 1.00 0.00 N ATOM 1118 CA ALA A 75 2.845 8.058 16.176 1.00 0.00 C ATOM 1119 C ALA A 75 4.023 8.666 16.929 1.00 0.00 C ATOM 1120 O ALA A 75 3.955 9.834 17.310 1.00 0.00 O ATOM 1121 CB ALA A 75 2.060 7.125 17.085 1.00 0.00 C ATOM 0 H ALA A 75 2.758 6.505 14.772 1.00 0.00 H new ATOM 0 HA ALA A 75 2.192 8.871 15.858 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.731 7.671 17.969 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.191 6.742 16.550 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.695 6.293 17.388 1.00 0.00 H new