USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 869 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 92 TYR OH : rot -168:sc= 1.25 USER MOD Set 1.2: A 113 GLN : amide:sc= -1.97 K(o=-12,f=-15!) USER MOD Set 1.3: A 118 ASN : amide:sc= -4.46! C(o=-12!,f=-10!) USER MOD Set 1.4: A 127 HIS : no HD1:sc= -6.38 K(o=-12,f=-10) USER MOD Set 2.1: A 21 CYS SG : rot -49:sc= -3.5 USER MOD Set 2.2: A 23 GLN : amide:sc= -0.666 K(o=-4.2,f=-3.6) USER MOD Set 3.1: A 17 THR OG1 : rot 150:sc= -0.179 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -2.31! K(o=-3.3!,f=-2.5) USER MOD Set 3.3: A 51 MET CE :methyl 160:sc= -0.849 (180deg=-2.19!) USER MOD Set 4.1: A 13 LYS NZ :NH3+ 158:sc= 0.00566 (180deg=0) USER MOD Set 4.2: A 90 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 7 SER OG : rot -80:sc= -1.28 USER MOD Single : A 8 TYR OH : rot -166:sc=0.000791 USER MOD Single : A 14 ASN : amide:sc= -4.1 K(o=-4.1,f=-4.6!) USER MOD Single : A 19 SER OG : rot -169:sc= -2.71 USER MOD Single : A 20 SER OG : rot 180:sc= -2.15 USER MOD Single : A 38 ASN : amide:sc= -0.639 K(o=-0.64,f=-0.12!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -176:sc= -1.9 USER MOD Single : A 48 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.8!) USER MOD Single : A 53 MET CE :methyl -179:sc= -1.63 (180deg=-1.63) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0.0247 (180deg=-0.0189) USER MOD Single : A 69 MET CE :methyl -107:sc= -4.98! (180deg=-11.3!) USER MOD Single : A 70 SER OG : rot -48:sc= 0.858 USER MOD Single : A 71 MET CE :methyl -154:sc= -0.213 (180deg=-0.86) USER MOD Single : A 72 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 79 CYS SG : rot 46:sc= -3.01! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 106:sc= 0.923 USER MOD Single : A 83 THR OG1 : rot -119:sc= 0.747 USER MOD Single : A 86 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-4.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 150:sc= -1.72 USER MOD Single : A 96 THR OG1 : rot 92:sc= -1.2 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 160:sc= -1.14 USER MOD Single : A 115 TYR OH : rot 180:sc= -3.35 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 121 ASN : amide:sc= -0.62 K(o=-0.62,f=-0.11) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 134 SER OG : rot -21:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.754 -7.820 -3.393 1.00 0.00 N ATOM 101 CA VAL A 6 3.023 -7.588 -2.153 1.00 0.00 C ATOM 102 C VAL A 6 3.015 -8.852 -1.301 1.00 0.00 C ATOM 103 O VAL A 6 3.153 -9.959 -1.820 1.00 0.00 O ATOM 104 CB VAL A 6 1.579 -7.126 -2.413 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.903 -6.746 -1.110 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.557 -5.963 -3.385 1.00 0.00 C ATOM 0 HA VAL A 6 3.537 -6.789 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 6 1.027 -7.953 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.118 -6.421 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.885 -7.609 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.455 -5.934 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.527 -5.651 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.124 -5.130 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.004 -6.270 -4.330 1.00 0.00 H new ATOM 116 N SER A 7 2.879 -8.685 0.012 1.00 0.00 N ATOM 117 CA SER A 7 2.887 -9.824 0.921 1.00 0.00 C ATOM 118 C SER A 7 1.542 -10.028 1.610 1.00 0.00 C ATOM 119 O SER A 7 1.067 -11.155 1.731 1.00 0.00 O ATOM 120 CB SER A 7 3.981 -9.647 1.973 1.00 0.00 C ATOM 121 OG SER A 7 5.144 -9.069 1.408 1.00 0.00 O ATOM 0 H SER A 7 2.763 -7.779 0.466 1.00 0.00 H new ATOM 0 HA SER A 7 3.086 -10.712 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.613 -9.015 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.228 -10.614 2.411 1.00 0.00 H new ATOM 0 HG SER A 7 5.660 -9.760 0.944 1.00 0.00 H new ATOM 127 N TYR A 8 0.937 -8.942 2.085 1.00 0.00 N ATOM 128 CA TYR A 8 -0.338 -9.046 2.782 1.00 0.00 C ATOM 129 C TYR A 8 -1.293 -7.914 2.411 1.00 0.00 C ATOM 130 O TYR A 8 -1.114 -6.777 2.834 1.00 0.00 O ATOM 131 CB TYR A 8 -0.100 -9.052 4.290 1.00 0.00 C ATOM 132 CG TYR A 8 1.060 -9.923 4.720 1.00 0.00 C ATOM 133 CD1 TYR A 8 0.968 -11.308 4.680 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.248 -9.357 5.165 1.00 0.00 C ATOM 135 CE1 TYR A 8 2.027 -12.106 5.071 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.312 -10.148 5.556 1.00 0.00 C ATOM 137 CZ TYR A 8 3.196 -11.520 5.508 1.00 0.00 C ATOM 138 OH TYR A 8 4.254 -12.311 5.899 1.00 0.00 O ATOM 0 H TYR A 8 1.304 -7.994 2.001 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.807 -9.981 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.081 -8.030 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.005 -9.395 4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.054 -11.770 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.342 -8.282 5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.939 -13.182 5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.230 -9.693 5.897 1.00 0.00 H new ATOM 0 HH TYR A 8 4.907 -11.766 6.386 1.00 0.00 H new ATOM 148 N VAL A 9 -2.316 -8.239 1.630 1.00 0.00 N ATOM 149 CA VAL A 9 -3.306 -7.239 1.219 1.00 0.00 C ATOM 150 C VAL A 9 -4.686 -7.573 1.773 1.00 0.00 C ATOM 151 O VAL A 9 -5.396 -8.411 1.222 1.00 0.00 O ATOM 152 CB VAL A 9 -3.412 -7.112 -0.317 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.932 -5.735 -0.699 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.070 -7.386 -0.982 1.00 0.00 C ATOM 0 H VAL A 9 -2.485 -9.178 1.269 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.959 -6.289 1.625 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.120 -7.861 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.001 -5.660 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.919 -5.584 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.249 -4.972 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.173 -7.290 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.333 -6.668 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.742 -8.396 -0.737 1.00 0.00 H new ATOM 164 N GLU A 10 -5.056 -6.918 2.868 1.00 0.00 N ATOM 165 CA GLU A 10 -6.349 -7.164 3.494 1.00 0.00 C ATOM 166 C GLU A 10 -7.309 -6.001 3.285 1.00 0.00 C ATOM 167 O GLU A 10 -7.023 -4.867 3.671 1.00 0.00 O ATOM 168 CB GLU A 10 -6.167 -7.416 4.989 1.00 0.00 C ATOM 169 CG GLU A 10 -7.352 -8.102 5.646 1.00 0.00 C ATOM 170 CD GLU A 10 -7.125 -8.371 7.122 1.00 0.00 C ATOM 171 OE1 GLU A 10 -7.367 -7.455 7.937 1.00 0.00 O ATOM 172 OE2 GLU A 10 -6.705 -9.496 7.462 1.00 0.00 O ATOM 0 H GLU A 10 -4.483 -6.217 3.338 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.781 -8.046 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.277 -8.027 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.988 -6.464 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.239 -7.481 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.551 -9.044 5.135 1.00 0.00 H new ATOM 179 N VAL A 11 -8.465 -6.298 2.698 1.00 0.00 N ATOM 180 CA VAL A 11 -9.481 -5.283 2.474 1.00 0.00 C ATOM 181 C VAL A 11 -10.341 -5.153 3.720 1.00 0.00 C ATOM 182 O VAL A 11 -10.669 -6.150 4.360 1.00 0.00 O ATOM 183 CB VAL A 11 -10.373 -5.613 1.262 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.215 -4.407 0.877 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.523 -6.072 0.087 1.00 0.00 C ATOM 0 H VAL A 11 -8.718 -7.231 2.371 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.974 -4.342 2.261 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.045 -6.426 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.839 -4.658 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.849 -4.123 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.561 -3.574 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.168 -6.301 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.827 -5.280 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.964 -6.964 0.369 1.00 0.00 H new ATOM 195 N ILE A 12 -10.666 -3.923 4.095 1.00 0.00 N ATOM 196 CA ILE A 12 -11.446 -3.686 5.303 1.00 0.00 C ATOM 197 C ILE A 12 -12.828 -3.115 5.010 1.00 0.00 C ATOM 198 O ILE A 12 -12.953 -1.994 4.539 1.00 0.00 O ATOM 199 CB ILE A 12 -10.696 -2.719 6.241 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.487 -3.409 6.879 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.620 -2.183 7.317 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.516 -4.000 5.880 1.00 0.00 C ATOM 0 H ILE A 12 -10.404 -3.079 3.585 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.579 -4.657 5.781 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.341 -1.881 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.957 -2.688 7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.840 -4.201 7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.067 -1.503 7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.448 -1.648 6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.010 -3.012 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.688 -4.470 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.028 -4.746 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.131 -3.210 5.235 1.00 0.00 H new ATOM 214 N LYS A 13 -13.866 -3.879 5.320 1.00 0.00 N ATOM 215 CA LYS A 13 -15.231 -3.409 5.110 1.00 0.00 C ATOM 216 C LYS A 13 -15.811 -2.847 6.404 1.00 0.00 C ATOM 217 O LYS A 13 -16.180 -3.598 7.308 1.00 0.00 O ATOM 218 CB LYS A 13 -16.127 -4.536 4.587 1.00 0.00 C ATOM 219 CG LYS A 13 -17.578 -4.122 4.388 1.00 0.00 C ATOM 220 CD LYS A 13 -17.802 -3.525 3.006 1.00 0.00 C ATOM 221 CE LYS A 13 -18.417 -4.540 2.057 1.00 0.00 C ATOM 222 NZ LYS A 13 -18.332 -4.095 0.637 1.00 0.00 N ATOM 0 H LYS A 13 -13.793 -4.817 5.714 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.197 -2.617 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.728 -4.895 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.089 -5.372 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.226 -4.988 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.858 -3.394 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.455 -2.656 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.853 -3.175 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.907 -5.497 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.461 -4.702 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.404 -4.921 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.110 -3.436 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.422 -3.617 0.477 1.00 0.00 H new ATOM 236 N ASN A 14 -15.896 -1.524 6.484 1.00 0.00 N ATOM 237 CA ASN A 14 -16.437 -0.860 7.663 1.00 0.00 C ATOM 238 C ASN A 14 -15.640 -1.215 8.913 1.00 0.00 C ATOM 239 O ASN A 14 -16.168 -1.192 10.025 1.00 0.00 O ATOM 240 CB ASN A 14 -17.907 -1.238 7.856 1.00 0.00 C ATOM 241 CG ASN A 14 -18.827 -0.032 7.824 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.485 1.037 8.330 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.002 -0.201 7.230 1.00 0.00 N ATOM 0 H ASN A 14 -15.596 -0.889 5.744 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.360 0.216 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.204 -1.938 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.024 -1.755 8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.664 0.573 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.243 -1.105 6.824 1.00 0.00 H new ATOM 250 N GLY A 15 -14.371 -1.546 8.724 1.00 0.00 N ATOM 251 CA GLY A 15 -13.530 -1.904 9.843 1.00 0.00 C ATOM 252 C GLY A 15 -13.795 -3.311 10.319 1.00 0.00 C ATOM 253 O GLY A 15 -13.720 -3.591 11.515 1.00 0.00 O ATOM 0 H GLY A 15 -13.910 -1.572 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.483 -1.809 9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.700 -1.206 10.663 1.00 0.00 H new ATOM 257 N GLU A 16 -14.115 -4.202 9.384 1.00 0.00 N ATOM 258 CA GLU A 16 -14.398 -5.583 9.741 1.00 0.00 C ATOM 259 C GLU A 16 -13.820 -6.569 8.732 1.00 0.00 C ATOM 260 O GLU A 16 -14.211 -7.736 8.692 1.00 0.00 O ATOM 261 CB GLU A 16 -15.902 -5.798 9.883 1.00 0.00 C ATOM 262 CG GLU A 16 -16.326 -6.254 11.269 1.00 0.00 C ATOM 263 CD GLU A 16 -17.786 -5.965 11.554 1.00 0.00 C ATOM 264 OE1 GLU A 16 -18.654 -6.557 10.876 1.00 0.00 O ATOM 265 OE2 GLU A 16 -18.065 -5.147 12.457 1.00 0.00 O ATOM 0 H GLU A 16 -14.183 -3.994 8.388 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.914 -5.774 10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.417 -4.868 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -16.225 -6.539 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.145 -7.324 11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.708 -5.757 12.016 1.00 0.00 H new ATOM 272 N THR A 17 -12.882 -6.094 7.942 1.00 0.00 N ATOM 273 CA THR A 17 -12.219 -6.925 6.937 1.00 0.00 C ATOM 274 C THR A 17 -13.205 -7.519 5.932 1.00 0.00 C ATOM 275 O THR A 17 -14.389 -7.696 6.225 1.00 0.00 O ATOM 276 CB THR A 17 -11.443 -8.054 7.617 1.00 0.00 C ATOM 277 OG1 THR A 17 -11.196 -7.745 8.978 1.00 0.00 O ATOM 278 CG2 THR A 17 -10.109 -8.340 6.962 1.00 0.00 C ATOM 0 H THR A 17 -12.553 -5.129 7.970 1.00 0.00 H new ATOM 0 HA THR A 17 -11.535 -6.278 6.388 1.00 0.00 H new ATOM 0 HB THR A 17 -12.074 -8.937 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.157 -8.574 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.610 -9.151 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.268 -8.630 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.487 -7.446 6.998 1.00 0.00 H new ATOM 286 N ILE A 18 -12.687 -7.847 4.751 1.00 0.00 N ATOM 287 CA ILE A 18 -13.481 -8.451 3.680 1.00 0.00 C ATOM 288 C ILE A 18 -12.624 -9.432 2.901 1.00 0.00 C ATOM 289 O ILE A 18 -13.008 -10.577 2.665 1.00 0.00 O ATOM 290 CB ILE A 18 -14.040 -7.414 2.675 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.597 -5.997 3.026 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.555 -7.495 2.606 1.00 0.00 C ATOM 293 CD1 ILE A 18 -13.982 -4.977 1.975 1.00 0.00 C ATOM 0 H ILE A 18 -11.707 -7.703 4.508 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.323 -8.943 4.166 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.632 -7.656 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.038 -5.711 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.515 -5.983 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.927 -6.758 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.852 -8.493 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.975 -7.292 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.639 -3.989 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.519 -5.242 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.066 -4.965 1.860 1.00 0.00 H new ATOM 305 N SER A 19 -11.456 -8.954 2.497 1.00 0.00 N ATOM 306 CA SER A 19 -10.516 -9.759 1.726 1.00 0.00 C ATOM 307 C SER A 19 -9.157 -9.823 2.417 1.00 0.00 C ATOM 308 O SER A 19 -8.947 -9.186 3.448 1.00 0.00 O ATOM 309 CB SER A 19 -10.366 -9.186 0.316 1.00 0.00 C ATOM 310 OG SER A 19 -11.275 -8.120 0.101 1.00 0.00 O ATOM 0 H SER A 19 -11.134 -8.006 2.691 1.00 0.00 H new ATOM 0 HA SER A 19 -10.910 -10.773 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.345 -8.833 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.540 -9.971 -0.420 1.00 0.00 H new ATOM 0 HG SER A 19 -11.288 -7.888 -0.851 1.00 0.00 H new ATOM 316 N SER A 20 -8.242 -10.594 1.841 1.00 0.00 N ATOM 317 CA SER A 20 -6.906 -10.744 2.407 1.00 0.00 C ATOM 318 C SER A 20 -5.975 -11.474 1.446 1.00 0.00 C ATOM 319 O SER A 20 -6.296 -12.552 0.947 1.00 0.00 O ATOM 320 CB SER A 20 -6.976 -11.498 3.738 1.00 0.00 C ATOM 321 OG SER A 20 -8.223 -12.156 3.887 1.00 0.00 O ATOM 0 H SER A 20 -8.400 -11.124 0.984 1.00 0.00 H new ATOM 0 HA SER A 20 -6.503 -9.746 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.168 -12.228 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.828 -10.801 4.563 1.00 0.00 H new ATOM 0 HG SER A 20 -8.242 -12.631 4.744 1.00 0.00 H new ATOM 327 N CYS A 21 -4.812 -10.880 1.206 1.00 0.00 N ATOM 328 CA CYS A 21 -3.817 -11.468 0.322 1.00 0.00 C ATOM 329 C CYS A 21 -2.557 -11.797 1.108 1.00 0.00 C ATOM 330 O CYS A 21 -1.516 -11.164 0.935 1.00 0.00 O ATOM 331 CB CYS A 21 -3.489 -10.507 -0.826 1.00 0.00 C ATOM 332 SG CYS A 21 -2.109 -11.028 -1.877 1.00 0.00 S ATOM 0 H CYS A 21 -4.535 -9.987 1.614 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.222 -12.387 -0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.377 -10.388 -1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.260 -9.527 -0.407 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.099 -11.367 -1.131 1.00 0.00 H new ATOM 338 N PHE A 22 -2.664 -12.793 1.977 1.00 0.00 N ATOM 339 CA PHE A 22 -1.544 -13.216 2.800 1.00 0.00 C ATOM 340 C PHE A 22 -1.000 -14.536 2.291 1.00 0.00 C ATOM 341 O PHE A 22 -1.405 -15.606 2.743 1.00 0.00 O ATOM 342 CB PHE A 22 -1.982 -13.335 4.259 1.00 0.00 C ATOM 343 CG PHE A 22 -2.539 -12.051 4.799 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.696 -11.509 4.266 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.896 -11.375 5.822 1.00 0.00 C ATOM 346 CE1 PHE A 22 -4.200 -10.316 4.739 1.00 0.00 C ATOM 347 CE2 PHE A 22 -2.397 -10.181 6.301 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.548 -9.651 5.758 1.00 0.00 C ATOM 0 H PHE A 22 -3.521 -13.325 2.129 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.751 -12.470 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.735 -14.119 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.131 -13.642 4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.210 -12.027 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.993 -11.786 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.103 -9.903 4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.888 -9.663 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.940 -8.716 6.130 1.00 0.00 H new ATOM 358 N GLN A 23 -0.094 -14.449 1.326 1.00 0.00 N ATOM 359 CA GLN A 23 0.488 -15.648 0.733 1.00 0.00 C ATOM 360 C GLN A 23 2.011 -15.616 0.763 1.00 0.00 C ATOM 361 O GLN A 23 2.623 -14.553 0.657 1.00 0.00 O ATOM 362 CB GLN A 23 0.004 -15.809 -0.709 1.00 0.00 C ATOM 363 CG GLN A 23 -1.488 -16.074 -0.824 1.00 0.00 C ATOM 364 CD GLN A 23 -1.977 -16.047 -2.259 1.00 0.00 C ATOM 365 OE1 GLN A 23 -2.148 -17.088 -2.891 1.00 0.00 O ATOM 366 NE2 GLN A 23 -2.204 -14.847 -2.784 1.00 0.00 N ATOM 0 H GLN A 23 0.252 -13.571 0.940 1.00 0.00 H new ATOM 0 HA GLN A 23 0.160 -16.499 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.248 -14.906 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.547 -16.630 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.715 -17.045 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.031 -15.327 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.049 -14.008 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.533 -14.765 -3.746 1.00 0.00 H new ATOM 587 N ASN A 38 9.908 -13.949 8.273 1.00 0.00 N ATOM 588 CA ASN A 38 8.713 -13.115 8.192 1.00 0.00 C ATOM 589 C ASN A 38 7.543 -13.898 7.608 1.00 0.00 C ATOM 590 O ASN A 38 6.678 -13.332 6.941 1.00 0.00 O ATOM 591 CB ASN A 38 8.989 -11.874 7.342 1.00 0.00 C ATOM 592 CG ASN A 38 10.275 -11.176 7.740 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.970 -11.606 8.662 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.600 -10.092 7.044 1.00 0.00 N ATOM 0 HA ASN A 38 8.448 -12.802 9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.044 -12.161 6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.156 -11.178 7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.454 -9.581 7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.995 -9.771 6.288 1.00 0.00 H new ATOM 601 N GLU A 39 7.522 -15.200 7.867 1.00 0.00 N ATOM 602 CA GLU A 39 6.454 -16.059 7.370 1.00 0.00 C ATOM 603 C GLU A 39 5.768 -16.795 8.516 1.00 0.00 C ATOM 604 O GLU A 39 5.228 -17.885 8.337 1.00 0.00 O ATOM 605 CB GLU A 39 7.003 -17.058 6.348 1.00 0.00 C ATOM 606 CG GLU A 39 5.924 -17.862 5.641 1.00 0.00 C ATOM 607 CD GLU A 39 6.200 -19.354 5.660 1.00 0.00 C ATOM 608 OE1 GLU A 39 5.377 -20.101 6.229 1.00 0.00 O ATOM 609 OE2 GLU A 39 7.237 -19.773 5.106 1.00 0.00 O ATOM 0 H GLU A 39 8.231 -15.684 8.418 1.00 0.00 H new ATOM 0 HA GLU A 39 5.713 -15.428 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.588 -16.518 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.683 -17.744 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.962 -17.668 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.843 -17.525 4.608 1.00 0.00 H new ATOM 616 N GLN A 40 5.785 -16.175 9.693 1.00 0.00 N ATOM 617 CA GLN A 40 5.156 -16.749 10.877 1.00 0.00 C ATOM 618 C GLN A 40 3.930 -15.927 11.263 1.00 0.00 C ATOM 619 O GLN A 40 2.904 -16.467 11.671 1.00 0.00 O ATOM 620 CB GLN A 40 6.151 -16.793 12.039 1.00 0.00 C ATOM 621 CG GLN A 40 7.190 -17.894 11.908 1.00 0.00 C ATOM 622 CD GLN A 40 7.993 -18.094 13.179 1.00 0.00 C ATOM 623 OE1 GLN A 40 7.449 -18.469 14.217 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.294 -17.843 13.103 1.00 0.00 N ATOM 0 H GLN A 40 6.230 -15.271 9.851 1.00 0.00 H new ATOM 0 HA GLN A 40 4.843 -17.768 10.651 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.659 -15.831 12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.603 -16.931 12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.693 -18.828 11.646 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.868 -17.653 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.703 -17.534 12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.885 -17.959 13.926 1.00 0.00 H new ATOM 633 N ILE A 41 4.053 -14.613 11.106 1.00 0.00 N ATOM 634 CA ILE A 41 2.970 -13.683 11.405 1.00 0.00 C ATOM 635 C ILE A 41 1.683 -14.109 10.699 1.00 0.00 C ATOM 636 O ILE A 41 1.699 -14.461 9.519 1.00 0.00 O ATOM 637 CB ILE A 41 3.365 -12.262 10.966 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.676 -11.846 11.655 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.247 -11.267 11.247 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.639 -10.474 12.300 1.00 0.00 C ATOM 0 H ILE A 41 4.904 -14.164 10.769 1.00 0.00 H new ATOM 0 HA ILE A 41 2.792 -13.691 12.480 1.00 0.00 H new ATOM 0 HB ILE A 41 3.528 -12.262 9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.922 -12.585 12.417 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.481 -11.867 10.920 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.556 -10.272 10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.351 -11.563 10.701 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.032 -11.253 12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.604 -10.263 12.761 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.427 -9.721 11.541 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.860 -10.451 13.062 1.00 0.00 H new ATOM 652 N THR A 42 0.573 -14.080 11.430 1.00 0.00 N ATOM 653 CA THR A 42 -0.720 -14.470 10.873 1.00 0.00 C ATOM 654 C THR A 42 -1.479 -13.250 10.369 1.00 0.00 C ATOM 655 O THR A 42 -1.316 -12.153 10.901 1.00 0.00 O ATOM 656 CB THR A 42 -1.569 -15.194 11.929 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.898 -15.365 11.473 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.640 -14.471 13.255 1.00 0.00 C ATOM 0 H THR A 42 0.542 -13.791 12.408 1.00 0.00 H new ATOM 0 HA THR A 42 -0.532 -15.145 10.038 1.00 0.00 H new ATOM 0 HB THR A 42 -1.069 -16.150 12.082 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.438 -15.772 12.183 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.256 -15.043 13.949 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.636 -14.364 13.665 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.079 -13.484 13.108 1.00 0.00 H new ATOM 666 N PRO A 43 -2.341 -13.422 9.349 1.00 0.00 N ATOM 667 CA PRO A 43 -3.139 -12.316 8.816 1.00 0.00 C ATOM 668 C PRO A 43 -3.793 -11.528 9.944 1.00 0.00 C ATOM 669 O PRO A 43 -4.060 -10.338 9.818 1.00 0.00 O ATOM 670 CB PRO A 43 -4.187 -13.021 7.955 1.00 0.00 C ATOM 671 CG PRO A 43 -3.533 -14.288 7.528 1.00 0.00 C ATOM 672 CD PRO A 43 -2.628 -14.697 8.661 1.00 0.00 C ATOM 0 HA PRO A 43 -2.549 -11.591 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.098 -13.216 8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.469 -12.412 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.275 -15.060 7.325 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.965 -14.142 6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.114 -15.411 9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.717 -15.170 8.296 1.00 0.00 H new ATOM 680 N VAL A 44 -4.014 -12.223 11.057 1.00 0.00 N ATOM 681 CA VAL A 44 -4.600 -11.643 12.255 1.00 0.00 C ATOM 682 C VAL A 44 -3.714 -10.537 12.801 1.00 0.00 C ATOM 683 O VAL A 44 -4.197 -9.500 13.240 1.00 0.00 O ATOM 684 CB VAL A 44 -4.732 -12.715 13.332 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.350 -12.166 14.602 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.510 -13.911 12.813 1.00 0.00 C ATOM 0 H VAL A 44 -3.788 -13.213 11.150 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.577 -11.238 11.992 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.726 -13.050 13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.426 -12.962 15.343 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.725 -11.364 14.994 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.345 -11.777 14.384 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.591 -14.662 13.599 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.508 -13.593 12.511 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.991 -14.338 11.955 1.00 0.00 H new ATOM 696 N ILE A 45 -2.408 -10.777 12.769 1.00 0.00 N ATOM 697 CA ILE A 45 -1.443 -9.802 13.254 1.00 0.00 C ATOM 698 C ILE A 45 -1.606 -8.504 12.492 1.00 0.00 C ATOM 699 O ILE A 45 -1.643 -7.420 13.074 1.00 0.00 O ATOM 700 CB ILE A 45 0.001 -10.303 13.089 1.00 0.00 C ATOM 701 CG1 ILE A 45 0.138 -11.752 13.557 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.974 -9.402 13.834 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.103 -11.951 15.033 1.00 0.00 C ATOM 0 H ILE A 45 -1.995 -11.639 12.412 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.632 -9.646 14.316 1.00 0.00 H new ATOM 0 HB ILE A 45 0.248 -10.268 12.028 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.565 -12.370 12.999 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.139 -12.108 13.313 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.989 -9.776 13.703 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.907 -8.388 13.439 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.724 -9.395 14.895 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.014 -13.006 15.282 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.617 -11.362 15.602 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.114 -11.629 15.283 1.00 0.00 H new ATOM 715 N PHE A 46 -1.732 -8.636 11.183 1.00 0.00 N ATOM 716 CA PHE A 46 -1.928 -7.491 10.321 1.00 0.00 C ATOM 717 C PHE A 46 -3.357 -6.997 10.456 1.00 0.00 C ATOM 718 O PHE A 46 -3.609 -5.795 10.498 1.00 0.00 O ATOM 719 CB PHE A 46 -1.650 -7.863 8.865 1.00 0.00 C ATOM 720 CG PHE A 46 -0.345 -8.576 8.656 1.00 0.00 C ATOM 721 CD1 PHE A 46 -0.247 -9.944 8.860 1.00 0.00 C ATOM 722 CD2 PHE A 46 0.779 -7.879 8.249 1.00 0.00 C ATOM 723 CE1 PHE A 46 0.951 -10.603 8.659 1.00 0.00 C ATOM 724 CE2 PHE A 46 1.980 -8.532 8.050 1.00 0.00 C ATOM 725 CZ PHE A 46 2.066 -9.895 8.255 1.00 0.00 C ATOM 0 H PHE A 46 -1.701 -9.531 10.695 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.235 -6.704 10.618 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.460 -8.495 8.501 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.658 -6.956 8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.116 -10.500 9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.717 -6.813 8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.015 -11.669 8.817 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.851 -7.977 7.734 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.004 -10.407 8.100 1.00 0.00 H new ATOM 735 N HIS A 47 -4.294 -7.943 10.541 1.00 0.00 N ATOM 736 CA HIS A 47 -5.702 -7.606 10.679 1.00 0.00 C ATOM 737 C HIS A 47 -5.944 -6.875 11.996 1.00 0.00 C ATOM 738 O HIS A 47 -6.846 -6.049 12.102 1.00 0.00 O ATOM 739 CB HIS A 47 -6.564 -8.878 10.578 1.00 0.00 C ATOM 740 CG HIS A 47 -7.659 -8.979 11.597 1.00 0.00 C ATOM 741 ND1 HIS A 47 -8.995 -9.056 11.269 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.602 -9.023 12.946 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.714 -9.144 12.374 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.891 -9.126 13.408 1.00 0.00 N ATOM 0 H HIS A 47 -4.099 -8.944 10.516 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.990 -6.938 9.867 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.008 -8.921 9.583 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.915 -9.748 10.675 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.707 -8.984 13.550 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.790 -9.218 12.424 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.168 -9.180 14.388 1.00 0.00 H new ATOM 753 N ASN A 48 -5.114 -7.172 12.986 1.00 0.00 N ATOM 754 CA ASN A 48 -5.222 -6.537 14.289 1.00 0.00 C ATOM 755 C ASN A 48 -4.387 -5.271 14.299 1.00 0.00 C ATOM 756 O ASN A 48 -4.719 -4.299 14.971 1.00 0.00 O ATOM 757 CB ASN A 48 -4.769 -7.486 15.398 1.00 0.00 C ATOM 758 CG ASN A 48 -5.904 -8.338 15.931 1.00 0.00 C ATOM 759 OD1 ASN A 48 -7.051 -7.896 15.992 1.00 0.00 O ATOM 760 ND2 ASN A 48 -5.589 -9.568 16.322 1.00 0.00 N ATOM 0 H ASN A 48 -4.357 -7.851 12.910 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.266 -6.284 14.475 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.980 -8.134 15.017 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.339 -6.906 16.215 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.311 -10.187 16.690 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.625 -9.894 16.254 1.00 0.00 H new ATOM 767 N LEU A 49 -3.322 -5.282 13.506 1.00 0.00 N ATOM 768 CA LEU A 49 -2.465 -4.120 13.370 1.00 0.00 C ATOM 769 C LEU A 49 -3.311 -2.995 12.821 1.00 0.00 C ATOM 770 O LEU A 49 -3.505 -1.957 13.446 1.00 0.00 O ATOM 771 CB LEU A 49 -1.333 -4.426 12.396 1.00 0.00 C ATOM 772 CG LEU A 49 0.015 -4.706 13.033 1.00 0.00 C ATOM 773 CD1 LEU A 49 1.092 -4.765 11.965 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.328 -3.638 14.064 1.00 0.00 C ATOM 0 H LEU A 49 -3.035 -6.086 12.948 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.032 -3.847 14.333 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.618 -5.289 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.225 -3.583 11.714 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.016 -5.672 13.538 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.056 -4.966 12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.859 -5.560 11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.136 -3.811 11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.297 -3.844 14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.354 -2.662 13.580 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.442 -3.640 14.835 1.00 0.00 H new ATOM 786 N ILE A 50 -3.847 -3.269 11.649 1.00 0.00 N ATOM 787 CA ILE A 50 -4.741 -2.358 10.954 1.00 0.00 C ATOM 788 C ILE A 50 -5.889 -1.950 11.866 1.00 0.00 C ATOM 789 O ILE A 50 -6.050 -0.784 12.223 1.00 0.00 O ATOM 790 CB ILE A 50 -5.360 -3.040 9.721 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.303 -3.707 8.854 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.165 -2.043 8.908 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.774 -5.034 8.308 1.00 0.00 C ATOM 0 H ILE A 50 -3.674 -4.139 11.145 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.155 -1.489 10.655 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.029 -3.822 10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.043 -3.046 8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.396 -3.857 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.595 -2.544 8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.965 -1.633 9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.514 -1.235 8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.988 -5.475 7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.009 -5.705 9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.666 -4.881 7.700 1.00 0.00 H new ATOM 805 N MET A 51 -6.688 -2.948 12.221 1.00 0.00 N ATOM 806 CA MET A 51 -7.850 -2.772 13.074 1.00 0.00 C ATOM 807 C MET A 51 -7.530 -1.987 14.346 1.00 0.00 C ATOM 808 O MET A 51 -8.302 -1.126 14.765 1.00 0.00 O ATOM 809 CB MET A 51 -8.400 -4.153 13.428 1.00 0.00 C ATOM 810 CG MET A 51 -9.850 -4.142 13.884 1.00 0.00 C ATOM 811 SD MET A 51 -11.017 -4.160 12.508 1.00 0.00 S ATOM 812 CE MET A 51 -10.182 -5.253 11.359 1.00 0.00 C ATOM 0 H MET A 51 -6.544 -3.912 11.920 1.00 0.00 H new ATOM 0 HA MET A 51 -8.592 -2.188 12.530 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.308 -4.803 12.558 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.785 -4.587 14.217 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.032 -5.008 14.520 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.028 -3.256 14.493 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.902 -5.644 10.640 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.405 -4.700 10.830 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.730 -6.080 11.907 1.00 0.00 H new ATOM 822 N ASP A 52 -6.404 -2.307 14.969 1.00 0.00 N ATOM 823 CA ASP A 52 -5.997 -1.649 16.210 1.00 0.00 C ATOM 824 C ASP A 52 -5.118 -0.416 15.972 1.00 0.00 C ATOM 825 O ASP A 52 -4.852 0.341 16.904 1.00 0.00 O ATOM 826 CB ASP A 52 -5.257 -2.638 17.109 1.00 0.00 C ATOM 827 CG ASP A 52 -5.430 -2.327 18.582 1.00 0.00 C ATOM 828 OD1 ASP A 52 -4.459 -2.507 19.346 1.00 0.00 O ATOM 829 OD2 ASP A 52 -6.537 -1.899 18.971 1.00 0.00 O ATOM 0 H ASP A 52 -5.753 -3.019 14.637 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.910 -1.306 16.697 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.619 -3.646 16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.196 -2.625 16.861 1.00 0.00 H new ATOM 834 N MET A 53 -4.644 -0.228 14.743 1.00 0.00 N ATOM 835 CA MET A 53 -3.771 0.907 14.442 1.00 0.00 C ATOM 836 C MET A 53 -4.266 1.724 13.250 1.00 0.00 C ATOM 837 O MET A 53 -4.675 2.875 13.403 1.00 0.00 O ATOM 838 CB MET A 53 -2.347 0.417 14.172 1.00 0.00 C ATOM 839 CG MET A 53 -1.827 -0.549 15.223 1.00 0.00 C ATOM 840 SD MET A 53 -1.113 0.294 16.649 1.00 0.00 S ATOM 841 CE MET A 53 0.260 1.151 15.880 1.00 0.00 C ATOM 0 H MET A 53 -4.845 -0.836 13.949 1.00 0.00 H new ATOM 0 HA MET A 53 -3.783 1.559 15.315 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.318 -0.070 13.197 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.680 1.277 14.119 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.643 -1.191 15.556 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.074 -1.197 14.774 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.813 1.706 16.638 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.922 0.426 15.406 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.118 1.843 15.128 1.00 0.00 H new ATOM 851 N VAL A 54 -4.209 1.133 12.062 1.00 0.00 N ATOM 852 CA VAL A 54 -4.635 1.823 10.848 1.00 0.00 C ATOM 853 C VAL A 54 -6.088 2.276 10.938 1.00 0.00 C ATOM 854 O VAL A 54 -6.387 3.456 10.776 1.00 0.00 O ATOM 855 CB VAL A 54 -4.462 0.930 9.604 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.912 1.660 8.346 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.018 0.472 9.475 1.00 0.00 C ATOM 0 H VAL A 54 -3.874 0.181 11.913 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.997 2.701 10.751 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.092 0.049 9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.780 1.010 7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.964 1.931 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.315 2.562 8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.914 -0.158 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.368 1.342 9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.736 -0.097 10.361 1.00 0.00 H new ATOM 867 N LEU A 55 -6.987 1.329 11.184 1.00 0.00 N ATOM 868 CA LEU A 55 -8.414 1.627 11.283 1.00 0.00 C ATOM 869 C LEU A 55 -8.676 2.871 12.126 1.00 0.00 C ATOM 870 O LEU A 55 -9.275 3.834 11.648 1.00 0.00 O ATOM 871 CB LEU A 55 -9.162 0.427 11.847 1.00 0.00 C ATOM 872 CG LEU A 55 -9.738 -0.519 10.794 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.987 0.067 10.167 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.709 -0.849 9.728 1.00 0.00 C ATOM 0 H LEU A 55 -6.753 0.345 11.319 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.782 1.835 10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.486 -0.136 12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.976 0.786 12.477 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.010 -1.447 11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.378 -0.625 9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.739 0.232 10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.743 1.016 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.149 -1.524 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.391 0.069 9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.847 -1.329 10.191 1.00 0.00 H new ATOM 886 N PRO A 56 -8.224 2.879 13.392 1.00 0.00 N ATOM 887 CA PRO A 56 -8.411 4.030 14.276 1.00 0.00 C ATOM 888 C PRO A 56 -7.616 5.252 13.812 1.00 0.00 C ATOM 889 O PRO A 56 -7.598 6.279 14.488 1.00 0.00 O ATOM 890 CB PRO A 56 -7.898 3.536 15.632 1.00 0.00 C ATOM 891 CG PRO A 56 -6.965 2.422 15.307 1.00 0.00 C ATOM 892 CD PRO A 56 -7.493 1.783 14.052 1.00 0.00 C ATOM 0 HA PRO A 56 -9.450 4.358 14.299 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.389 4.332 16.175 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.718 3.193 16.263 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.952 2.795 15.157 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.922 1.700 16.123 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.687 1.403 13.425 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.148 0.940 14.275 1.00 0.00 H new ATOM 900 N LYS A 57 -6.969 5.141 12.649 1.00 0.00 N ATOM 901 CA LYS A 57 -6.190 6.242 12.101 1.00 0.00 C ATOM 902 C LYS A 57 -6.281 6.243 10.579 1.00 0.00 C ATOM 903 O LYS A 57 -5.415 6.784 9.891 1.00 0.00 O ATOM 904 CB LYS A 57 -4.729 6.136 12.544 1.00 0.00 C ATOM 905 CG LYS A 57 -4.236 7.353 13.308 1.00 0.00 C ATOM 906 CD LYS A 57 -4.108 8.567 12.403 1.00 0.00 C ATOM 907 CE LYS A 57 -5.410 9.349 12.333 1.00 0.00 C ATOM 908 NZ LYS A 57 -5.187 10.764 11.929 1.00 0.00 N ATOM 0 H LYS A 57 -6.972 4.299 12.073 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.599 7.179 12.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.611 5.252 13.170 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.101 5.990 11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.926 7.576 14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.269 7.132 13.761 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.313 9.215 12.772 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.820 8.247 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.083 8.870 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.902 9.322 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.099 11.263 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.565 11.229 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.741 10.791 10.990 1.00 0.00 H new ATOM 922 N VAL A 58 -7.339 5.622 10.064 1.00 0.00 N ATOM 923 CA VAL A 58 -7.557 5.536 8.631 1.00 0.00 C ATOM 924 C VAL A 58 -8.261 6.778 8.116 1.00 0.00 C ATOM 925 O VAL A 58 -8.805 7.565 8.890 1.00 0.00 O ATOM 926 CB VAL A 58 -8.402 4.292 8.272 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.868 4.521 8.600 1.00 0.00 C ATOM 928 CG2 VAL A 58 -8.246 3.926 6.808 1.00 0.00 C ATOM 0 H VAL A 58 -8.060 5.170 10.626 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.578 5.453 8.158 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.035 3.461 8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.442 3.632 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.975 4.722 9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.239 5.373 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.852 3.048 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.575 4.760 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.199 3.707 6.597 1.00 0.00 H new ATOM 938 N VAL A 59 -8.259 6.941 6.807 1.00 0.00 N ATOM 939 CA VAL A 59 -8.909 8.073 6.186 1.00 0.00 C ATOM 940 C VAL A 59 -9.657 7.639 4.937 1.00 0.00 C ATOM 941 O VAL A 59 -9.220 6.729 4.232 1.00 0.00 O ATOM 942 CB VAL A 59 -7.896 9.172 5.820 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.106 9.599 7.045 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.962 8.705 4.712 1.00 0.00 C ATOM 0 H VAL A 59 -7.812 6.299 6.153 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.615 8.480 6.909 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.450 10.035 5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.395 10.377 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.789 9.986 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.567 8.741 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.256 9.500 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.415 7.823 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.545 8.458 3.825 1.00 0.00 H new ATOM 1052 N VAL A 66 -4.098 5.154 -0.933 1.00 0.00 N ATOM 1053 CA VAL A 66 -3.041 4.266 -0.455 1.00 0.00 C ATOM 1054 C VAL A 66 -2.031 5.040 0.384 1.00 0.00 C ATOM 1055 O VAL A 66 -0.897 5.266 -0.041 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.306 3.589 -1.627 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.545 2.359 -1.147 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.275 3.229 -2.745 1.00 0.00 C ATOM 0 HA VAL A 66 -3.514 3.497 0.156 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.584 4.299 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.033 1.896 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.813 2.655 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.244 1.646 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.730 2.753 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.031 2.543 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.759 4.134 -3.113 1.00 0.00 H new ATOM 1068 N THR A 67 -2.451 5.455 1.574 1.00 0.00 N ATOM 1069 CA THR A 67 -1.584 6.213 2.467 1.00 0.00 C ATOM 1070 C THR A 67 -0.966 5.316 3.532 1.00 0.00 C ATOM 1071 O THR A 67 -1.675 4.612 4.254 1.00 0.00 O ATOM 1072 CB THR A 67 -2.368 7.342 3.128 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.856 8.253 2.157 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.559 8.135 4.135 1.00 0.00 C ATOM 0 H THR A 67 -3.386 5.279 1.942 1.00 0.00 H new ATOM 0 HA THR A 67 -0.776 6.636 1.870 1.00 0.00 H new ATOM 0 HB THR A 67 -3.185 6.848 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.357 8.968 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.181 8.920 4.564 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.214 7.471 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.699 8.584 3.638 1.00 0.00 H new ATOM 1082 N LYS A 68 0.358 5.353 3.635 1.00 0.00 N ATOM 1083 CA LYS A 68 1.068 4.552 4.620 1.00 0.00 C ATOM 1084 C LYS A 68 0.885 5.140 6.012 1.00 0.00 C ATOM 1085 O LYS A 68 1.040 6.344 6.212 1.00 0.00 O ATOM 1086 CB LYS A 68 2.558 4.473 4.276 1.00 0.00 C ATOM 1087 CG LYS A 68 3.167 3.105 4.530 1.00 0.00 C ATOM 1088 CD LYS A 68 4.660 3.096 4.239 1.00 0.00 C ATOM 1089 CE LYS A 68 5.475 3.281 5.509 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.893 2.862 5.325 1.00 0.00 N ATOM 0 H LYS A 68 0.960 5.930 3.047 1.00 0.00 H new ATOM 0 HA LYS A 68 0.653 3.544 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.695 4.734 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.098 5.217 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.996 2.816 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.669 2.363 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.934 2.154 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.899 3.891 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.442 4.327 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.027 2.701 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.456 3.173 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.941 1.826 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.273 3.294 4.459 1.00 0.00 H new ATOM 1104 N MET A 69 0.554 4.287 6.975 1.00 0.00 N ATOM 1105 CA MET A 69 0.352 4.732 8.348 1.00 0.00 C ATOM 1106 C MET A 69 1.584 5.468 8.864 1.00 0.00 C ATOM 1107 O MET A 69 1.477 6.397 9.664 1.00 0.00 O ATOM 1108 CB MET A 69 0.032 3.537 9.251 1.00 0.00 C ATOM 1109 CG MET A 69 -1.456 3.316 9.468 1.00 0.00 C ATOM 1110 SD MET A 69 -2.275 4.750 10.197 1.00 0.00 S ATOM 1111 CE MET A 69 -2.150 4.365 11.939 1.00 0.00 C ATOM 0 H MET A 69 0.420 3.286 6.831 1.00 0.00 H new ATOM 0 HA MET A 69 -0.492 5.422 8.364 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.464 2.637 8.814 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.513 3.684 10.218 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.927 3.080 8.514 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.600 2.452 10.117 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.129 4.072 12.318 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.445 3.545 12.081 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.799 5.243 12.481 1.00 0.00 H new ATOM 1121 N SER A 70 2.753 5.045 8.395 1.00 0.00 N ATOM 1122 CA SER A 70 4.010 5.659 8.802 1.00 0.00 C ATOM 1123 C SER A 70 4.206 5.554 10.310 1.00 0.00 C ATOM 1124 O SER A 70 4.928 6.346 10.912 1.00 0.00 O ATOM 1125 CB SER A 70 4.059 7.125 8.367 1.00 0.00 C ATOM 1126 OG SER A 70 5.320 7.703 8.654 1.00 0.00 O ATOM 0 H SER A 70 2.855 4.277 7.731 1.00 0.00 H new ATOM 0 HA SER A 70 4.820 5.119 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.858 7.197 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.275 7.685 8.877 1.00 0.00 H new ATOM 0 HG SER A 70 5.575 7.490 9.576 1.00 0.00 H new ATOM 1132 N MET A 71 3.564 4.561 10.909 1.00 0.00 N ATOM 1133 CA MET A 71 3.673 4.336 12.347 1.00 0.00 C ATOM 1134 C MET A 71 4.590 3.155 12.650 1.00 0.00 C ATOM 1135 O MET A 71 4.870 2.862 13.814 1.00 0.00 O ATOM 1136 CB MET A 71 2.295 4.077 12.963 1.00 0.00 C ATOM 1137 CG MET A 71 1.185 4.935 12.379 1.00 0.00 C ATOM 1138 SD MET A 71 1.158 6.602 13.068 1.00 0.00 S ATOM 1139 CE MET A 71 0.697 6.258 14.764 1.00 0.00 C ATOM 0 H MET A 71 2.961 3.897 10.423 1.00 0.00 H new ATOM 0 HA MET A 71 4.100 5.238 12.786 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.039 3.027 12.825 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.350 4.254 14.037 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.309 4.995 11.298 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.224 4.454 12.564 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.200 7.130 15.190 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.020 5.404 14.791 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.591 6.030 15.345 1.00 0.00 H new ATOM 1149 N ASN A 72 5.049 2.466 11.607 1.00 0.00 N ATOM 1150 CA ASN A 72 5.918 1.312 11.782 1.00 0.00 C ATOM 1151 C ASN A 72 5.215 0.251 12.621 1.00 0.00 C ATOM 1152 O ASN A 72 5.723 -0.182 13.655 1.00 0.00 O ATOM 1153 CB ASN A 72 7.233 1.728 12.449 1.00 0.00 C ATOM 1154 CG ASN A 72 8.431 1.003 11.870 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.492 1.593 11.674 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.268 -0.287 11.596 1.00 0.00 N ATOM 0 H ASN A 72 4.832 2.689 10.635 1.00 0.00 H new ATOM 0 HA ASN A 72 6.145 0.894 10.801 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.372 2.803 12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.173 1.528 13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.041 -0.827 11.207 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.370 -0.737 11.774 1.00 0.00 H new ATOM 1163 N LEU A 73 4.032 -0.154 12.167 1.00 0.00 N ATOM 1164 CA LEU A 73 3.241 -1.154 12.872 1.00 0.00 C ATOM 1165 C LEU A 73 4.026 -2.448 13.046 1.00 0.00 C ATOM 1166 O LEU A 73 4.144 -2.973 14.153 1.00 0.00 O ATOM 1167 CB LEU A 73 1.944 -1.423 12.110 1.00 0.00 C ATOM 1168 CG LEU A 73 0.808 -0.437 12.391 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.133 0.935 11.822 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.499 -0.951 11.808 1.00 0.00 C ATOM 0 H LEU A 73 3.601 0.197 11.312 1.00 0.00 H new ATOM 0 HA LEU A 73 3.002 -0.767 13.863 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.159 -1.410 11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.600 -2.428 12.353 1.00 0.00 H new ATOM 0 HG LEU A 73 0.697 -0.345 13.471 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.312 1.620 12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.047 1.312 12.281 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.273 0.858 10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.296 -0.238 12.017 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.394 -1.072 10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.745 -1.912 12.259 1.00 0.00 H new ATOM 1182 N ILE A 74 4.557 -2.952 11.943 1.00 0.00 N ATOM 1183 CA ILE A 74 5.332 -4.185 11.964 1.00 0.00 C ATOM 1184 C ILE A 74 6.642 -4.016 11.201 1.00 0.00 C ATOM 1185 O ILE A 74 6.749 -3.175 10.308 1.00 0.00 O ATOM 1186 CB ILE A 74 4.518 -5.361 11.365 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.065 -6.315 12.474 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.318 -6.119 10.311 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.337 -7.538 11.960 1.00 0.00 C ATOM 0 H ILE A 74 4.466 -2.526 11.020 1.00 0.00 H new ATOM 0 HA ILE A 74 5.561 -4.415 13.005 1.00 0.00 H new ATOM 0 HB ILE A 74 3.640 -4.940 10.876 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.936 -6.634 13.046 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.413 -5.776 13.161 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.715 -6.936 9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.588 -5.441 9.502 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.224 -6.523 10.763 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.046 -8.168 12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.446 -7.228 11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.994 -8.100 11.296 1.00 0.00 H new ATOM 1201 N ASP A 75 7.629 -4.828 11.554 1.00 0.00 N ATOM 1202 CA ASP A 75 8.926 -4.777 10.896 1.00 0.00 C ATOM 1203 C ASP A 75 9.007 -5.835 9.805 1.00 0.00 C ATOM 1204 O ASP A 75 8.515 -6.951 9.969 1.00 0.00 O ATOM 1205 CB ASP A 75 10.052 -4.981 11.911 1.00 0.00 C ATOM 1206 CG ASP A 75 11.402 -4.559 11.366 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.784 -3.387 11.569 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.076 -5.400 10.736 1.00 0.00 O ATOM 0 H ASP A 75 7.556 -5.529 12.291 1.00 0.00 H new ATOM 0 HA ASP A 75 9.042 -3.793 10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.832 -4.410 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.092 -6.031 12.200 1.00 0.00 H new ATOM 1213 N GLY A 76 9.621 -5.471 8.690 1.00 0.00 N ATOM 1214 CA GLY A 76 9.746 -6.394 7.581 1.00 0.00 C ATOM 1215 C GLY A 76 8.877 -5.995 6.406 1.00 0.00 C ATOM 1216 O GLY A 76 9.250 -6.203 5.253 1.00 0.00 O ATOM 0 H GLY A 76 10.035 -4.552 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.787 -6.438 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.471 -7.396 7.911 1.00 0.00 H new ATOM 1220 N PHE A 77 7.716 -5.414 6.696 1.00 0.00 N ATOM 1221 CA PHE A 77 6.802 -4.987 5.640 1.00 0.00 C ATOM 1222 C PHE A 77 6.341 -3.547 5.863 1.00 0.00 C ATOM 1223 O PHE A 77 6.556 -2.976 6.931 1.00 0.00 O ATOM 1224 CB PHE A 77 5.584 -5.917 5.562 1.00 0.00 C ATOM 1225 CG PHE A 77 5.748 -7.219 6.297 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.481 -8.259 5.746 1.00 0.00 C ATOM 1227 CD2 PHE A 77 5.160 -7.403 7.537 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.623 -9.458 6.422 1.00 0.00 C ATOM 1229 CE2 PHE A 77 5.300 -8.597 8.217 1.00 0.00 C ATOM 1230 CZ PHE A 77 6.029 -9.626 7.660 1.00 0.00 C ATOM 0 H PHE A 77 7.388 -5.229 7.644 1.00 0.00 H new ATOM 0 HA PHE A 77 7.344 -5.037 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.716 -5.394 5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.371 -6.130 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.946 -8.132 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.585 -6.603 7.978 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.197 -10.261 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.838 -8.725 9.185 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.136 -10.561 8.189 1.00 0.00 H new ATOM 1240 N ASP A 78 5.705 -2.971 4.847 1.00 0.00 N ATOM 1241 CA ASP A 78 5.207 -1.602 4.930 1.00 0.00 C ATOM 1242 C ASP A 78 3.682 -1.595 5.024 1.00 0.00 C ATOM 1243 O ASP A 78 3.004 -2.262 4.243 1.00 0.00 O ATOM 1244 CB ASP A 78 5.659 -0.790 3.715 1.00 0.00 C ATOM 1245 CG ASP A 78 7.130 -0.433 3.774 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.739 -0.240 2.700 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.675 -0.344 4.894 1.00 0.00 O ATOM 0 H ASP A 78 5.522 -3.432 3.956 1.00 0.00 H new ATOM 0 HA ASP A 78 5.618 -1.143 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.462 -1.360 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.068 0.124 3.652 1.00 0.00 H new ATOM 1252 N CYS A 79 3.152 -0.852 5.992 1.00 0.00 N ATOM 1253 CA CYS A 79 1.703 -0.778 6.205 1.00 0.00 C ATOM 1254 C CYS A 79 1.052 0.359 5.416 1.00 0.00 C ATOM 1255 O CYS A 79 1.266 1.538 5.707 1.00 0.00 O ATOM 1256 CB CYS A 79 1.405 -0.604 7.695 1.00 0.00 C ATOM 1257 SG CYS A 79 2.302 0.764 8.468 1.00 0.00 S ATOM 0 H CYS A 79 3.701 -0.291 6.643 1.00 0.00 H new ATOM 0 HA CYS A 79 1.277 -1.713 5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.335 -0.443 7.825 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.654 -1.529 8.216 1.00 0.00 H new ATOM 0 HG CYS A 79 2.219 1.819 7.713 1.00 0.00 H new ATOM 1263 N PHE A 80 0.237 -0.009 4.430 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.473 0.966 3.600 1.00 0.00 C ATOM 1265 C PHE A 80 -1.985 0.747 3.688 1.00 0.00 C ATOM 1266 O PHE A 80 -2.446 -0.379 3.874 1.00 0.00 O ATOM 1267 CB PHE A 80 -0.027 0.846 2.141 1.00 0.00 C ATOM 1268 CG PHE A 80 1.300 1.489 1.855 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.367 2.804 1.422 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.478 0.776 2.012 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.586 3.396 1.151 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.700 1.365 1.744 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.754 2.676 1.313 1.00 0.00 C ATOM 0 H PHE A 80 0.050 -0.981 4.184 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.235 1.963 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.027 -0.209 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.784 1.299 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.457 3.372 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.441 -0.250 2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.626 4.421 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.612 0.800 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.708 3.138 1.103 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.753 1.827 3.544 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.213 1.733 3.597 1.00 0.00 C ATOM 1285 C TYR A 81 -4.865 2.715 2.626 1.00 0.00 C ATOM 1286 O TYR A 81 -4.553 3.905 2.622 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.729 1.983 5.017 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.375 3.342 5.585 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -3.261 3.505 6.399 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -5.159 4.463 5.315 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -2.939 4.737 6.928 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -4.838 5.699 5.844 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.728 5.832 6.649 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.407 7.061 7.176 1.00 0.00 O ATOM 0 H TYR A 81 -2.393 2.769 3.391 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.485 0.720 3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.813 1.873 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.329 1.213 5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.637 2.652 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.030 4.364 4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.070 4.844 7.560 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.456 6.558 5.627 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.064 7.725 6.881 1.00 0.00 H new ATOM 1304 N SER A 82 -5.775 2.199 1.806 1.00 0.00 N ATOM 1305 CA SER A 82 -6.486 3.013 0.825 1.00 0.00 C ATOM 1306 C SER A 82 -7.980 2.723 0.873 1.00 0.00 C ATOM 1307 O SER A 82 -8.406 1.605 0.589 1.00 0.00 O ATOM 1308 CB SER A 82 -5.962 2.732 -0.585 1.00 0.00 C ATOM 1309 OG SER A 82 -6.231 3.819 -1.452 1.00 0.00 O ATOM 0 H SER A 82 -6.039 1.214 1.802 1.00 0.00 H new ATOM 0 HA SER A 82 -6.315 4.061 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.888 2.549 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.427 1.827 -0.976 1.00 0.00 H new ATOM 0 HG SER A 82 -5.403 4.316 -1.620 1.00 0.00 H new ATOM 1315 N THR A 83 -8.778 3.721 1.232 1.00 0.00 N ATOM 1316 CA THR A 83 -10.219 3.533 1.302 1.00 0.00 C ATOM 1317 C THR A 83 -10.843 3.558 -0.089 1.00 0.00 C ATOM 1318 O THR A 83 -10.353 4.241 -0.986 1.00 0.00 O ATOM 1319 CB THR A 83 -10.871 4.588 2.190 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.482 5.888 1.794 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.536 4.429 3.656 1.00 0.00 C ATOM 0 H THR A 83 -8.456 4.657 1.476 1.00 0.00 H new ATOM 0 HA THR A 83 -10.399 2.553 1.745 1.00 0.00 H new ATOM 0 HB THR A 83 -11.944 4.445 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.022 6.332 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.032 5.212 4.230 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.876 3.453 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.458 4.507 3.793 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.927 2.800 -0.258 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.628 2.722 -1.539 1.00 0.00 C ATOM 1331 C ASP A 84 -12.778 4.102 -2.175 1.00 0.00 C ATOM 1332 O ASP A 84 -12.613 5.124 -1.510 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.005 2.084 -1.354 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.469 1.335 -2.587 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -14.603 0.097 -2.513 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -14.698 1.988 -3.627 1.00 0.00 O ATOM 0 H ASP A 84 -12.340 2.229 0.480 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.030 2.101 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.973 1.398 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.731 2.859 -1.109 1.00 0.00 H new ATOM 1341 N ASP A 85 -13.090 4.121 -3.467 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.256 5.377 -4.192 1.00 0.00 C ATOM 1343 C ASP A 85 -14.695 5.886 -4.108 1.00 0.00 C ATOM 1344 O ASP A 85 -14.965 7.047 -4.416 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.854 5.196 -5.658 1.00 0.00 C ATOM 1346 CG ASP A 85 -13.713 4.172 -6.373 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -13.973 3.101 -5.785 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -14.126 4.439 -7.521 1.00 0.00 O ATOM 0 H ASP A 85 -13.233 3.284 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.607 6.118 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.931 6.153 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.809 4.889 -5.710 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.616 5.019 -3.699 1.00 0.00 N ATOM 1354 CA HIS A 86 -17.020 5.399 -3.591 1.00 0.00 C ATOM 1355 C HIS A 86 -17.690 4.746 -2.383 1.00 0.00 C ATOM 1356 O HIS A 86 -18.916 4.694 -2.301 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.769 5.012 -4.867 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.461 3.625 -5.341 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.128 2.593 -4.487 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -17.434 3.099 -6.589 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -16.907 1.497 -5.187 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -17.087 1.776 -6.465 1.00 0.00 N ATOM 0 H HIS A 86 -15.417 4.053 -3.438 1.00 0.00 H new ATOM 0 HA HIS A 86 -17.059 6.480 -3.456 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.841 5.098 -4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.518 5.721 -5.656 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.646 3.622 -7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.627 0.535 -4.784 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -16.985 1.116 -7.236 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.886 4.245 -1.449 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.422 3.599 -0.260 1.00 0.00 C ATOM 1373 C ASP A 87 -16.415 3.631 0.892 1.00 0.00 C ATOM 1374 O ASP A 87 -15.495 2.815 0.939 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.809 2.152 -0.573 1.00 0.00 C ATOM 1376 CG ASP A 87 -19.129 1.757 0.061 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.949 1.113 -0.627 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.343 2.089 1.246 1.00 0.00 O ATOM 0 H ASP A 87 -15.867 4.275 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.310 4.151 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.874 2.022 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.024 1.484 -0.218 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.582 4.567 1.845 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.681 4.683 2.997 1.00 0.00 C ATOM 1385 C PRO A 88 -15.754 3.460 3.909 1.00 0.00 C ATOM 1386 O PRO A 88 -14.900 3.271 4.774 1.00 0.00 O ATOM 1387 CB PRO A 88 -16.188 5.931 3.727 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.604 6.084 3.290 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.657 5.575 1.879 1.00 0.00 C ATOM 0 HA PRO A 88 -14.636 4.752 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.119 5.811 4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.597 6.809 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.275 5.517 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.918 7.127 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.627 5.137 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.484 6.373 1.156 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.772 2.627 3.700 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.945 1.417 4.495 1.00 0.00 C ATOM 1399 C LYS A 89 -16.345 0.215 3.774 1.00 0.00 C ATOM 1400 O LYS A 89 -16.808 -0.915 3.929 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.428 1.175 4.775 1.00 0.00 C ATOM 1402 CG LYS A 89 -19.104 2.324 5.504 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.307 2.847 4.733 1.00 0.00 C ATOM 1404 CE LYS A 89 -21.461 3.192 5.661 1.00 0.00 C ATOM 1405 NZ LYS A 89 -22.666 2.362 5.380 1.00 0.00 N ATOM 0 H LYS A 89 -17.488 2.769 2.987 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.425 1.550 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.944 1.001 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.534 0.267 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.421 1.992 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.388 3.132 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.019 3.732 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.631 2.097 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.152 3.044 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.713 4.247 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.430 2.627 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.977 2.522 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.433 1.357 5.510 1.00 0.00 H new ATOM 1419 N THR A 90 -15.308 0.474 2.986 1.00 0.00 N ATOM 1420 CA THR A 90 -14.625 -0.571 2.235 1.00 0.00 C ATOM 1421 C THR A 90 -13.187 -0.161 1.973 1.00 0.00 C ATOM 1422 O THR A 90 -12.798 0.146 0.847 1.00 0.00 O ATOM 1423 CB THR A 90 -15.360 -0.850 0.918 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.586 -1.515 1.161 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.569 -1.696 -0.058 1.00 0.00 C ATOM 0 H THR A 90 -14.920 1.407 2.851 1.00 0.00 H new ATOM 0 HA THR A 90 -14.624 -1.489 2.823 1.00 0.00 H new ATOM 0 HB THR A 90 -15.517 0.131 0.471 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.041 -1.683 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.155 -1.850 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.638 -1.187 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.344 -2.661 0.396 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.406 -0.152 3.038 1.00 0.00 N ATOM 1434 CA VAL A 91 -11.008 0.219 2.962 1.00 0.00 C ATOM 1435 C VAL A 91 -10.193 -0.854 2.251 1.00 0.00 C ATOM 1436 O VAL A 91 -10.716 -1.910 1.891 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.407 0.479 4.364 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.353 1.576 4.304 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.499 0.836 5.366 1.00 0.00 C ATOM 0 H VAL A 91 -12.723 -0.401 3.975 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.959 1.144 2.388 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.926 -0.439 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.944 1.742 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.552 1.275 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.807 2.497 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.051 1.014 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.017 1.736 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.211 0.013 5.437 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.913 -0.575 2.052 1.00 0.00 N ATOM 1450 CA TYR A 92 -8.012 -1.511 1.383 1.00 0.00 C ATOM 1451 C TYR A 92 -6.619 -1.430 1.991 1.00 0.00 C ATOM 1452 O TYR A 92 -5.846 -0.526 1.676 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.936 -1.215 -0.118 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.252 -1.377 -0.847 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.485 -2.481 -1.657 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -10.259 -0.423 -0.732 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -10.681 -2.631 -2.332 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.457 -0.569 -1.404 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.664 -1.673 -2.202 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.857 -1.820 -2.871 1.00 0.00 O ATOM 0 H TYR A 92 -8.470 0.296 2.345 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.407 -2.517 1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.578 -0.195 -0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.198 -1.877 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.718 -3.235 -1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.101 0.444 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.845 -3.495 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.229 0.180 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.360 -0.980 -2.831 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.301 -2.375 2.866 1.00 0.00 N ATOM 1471 CA VAL A 93 -5.001 -2.398 3.519 1.00 0.00 C ATOM 1472 C VAL A 93 -4.012 -3.271 2.757 1.00 0.00 C ATOM 1473 O VAL A 93 -4.309 -4.416 2.416 1.00 0.00 O ATOM 1474 CB VAL A 93 -5.117 -2.903 4.964 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.778 -2.820 5.682 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -6.177 -2.109 5.706 1.00 0.00 C ATOM 0 H VAL A 93 -6.925 -3.134 3.139 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.631 -1.373 3.528 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.415 -3.951 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.890 -3.184 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.045 -3.432 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.439 -1.784 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.254 -2.473 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.902 -1.054 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.138 -2.229 5.206 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.833 -2.718 2.495 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.795 -3.439 1.775 1.00 0.00 C ATOM 1488 C CYS A 94 -0.480 -3.415 2.547 1.00 0.00 C ATOM 1489 O CYS A 94 -0.045 -2.367 3.027 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.600 -2.840 0.381 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.275 -3.609 -0.582 1.00 0.00 S ATOM 0 H CYS A 94 -2.574 -1.771 2.772 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.112 -4.477 1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.534 -2.928 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.389 -1.775 0.482 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.562 -3.539 -1.848 1.00 0.00 H new ATOM 1497 N PHE A 95 0.148 -4.577 2.652 1.00 0.00 N ATOM 1498 CA PHE A 95 1.417 -4.715 3.350 1.00 0.00 C ATOM 1499 C PHE A 95 2.509 -5.100 2.363 1.00 0.00 C ATOM 1500 O PHE A 95 2.653 -6.273 2.016 1.00 0.00 O ATOM 1501 CB PHE A 95 1.314 -5.786 4.436 1.00 0.00 C ATOM 1502 CG PHE A 95 0.939 -5.257 5.791 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.379 -5.277 6.216 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.908 -4.755 6.645 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.724 -4.807 7.468 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.568 -4.283 7.896 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.251 -4.309 8.310 1.00 0.00 C ATOM 0 H PHE A 95 -0.207 -5.448 2.257 1.00 0.00 H new ATOM 0 HA PHE A 95 1.664 -3.760 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.575 -6.527 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.271 -6.303 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.145 -5.664 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.940 -4.733 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.755 -4.829 7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.332 -3.893 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.016 -3.941 9.290 1.00 0.00 H new ATOM 1517 N THR A 96 3.267 -4.117 1.904 1.00 0.00 N ATOM 1518 CA THR A 96 4.333 -4.376 0.944 1.00 0.00 C ATOM 1519 C THR A 96 5.693 -4.380 1.622 1.00 0.00 C ATOM 1520 O THR A 96 6.051 -3.436 2.324 1.00 0.00 O ATOM 1521 CB THR A 96 4.311 -3.336 -0.173 1.00 0.00 C ATOM 1522 OG1 THR A 96 4.012 -2.053 0.345 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.298 -3.646 -1.253 1.00 0.00 C ATOM 0 H THR A 96 3.167 -3.139 2.177 1.00 0.00 H new ATOM 0 HA THR A 96 4.161 -5.363 0.514 1.00 0.00 H new ATOM 0 HB THR A 96 5.307 -3.359 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.845 -1.589 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.332 -2.870 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.531 -4.610 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.300 -3.682 -0.816 1.00 0.00 H new ATOM 1531 N LEU A 97 6.451 -5.452 1.398 1.00 0.00 N ATOM 1532 CA LEU A 97 7.785 -5.598 1.975 1.00 0.00 C ATOM 1533 C LEU A 97 8.517 -4.256 2.013 1.00 0.00 C ATOM 1534 O LEU A 97 8.502 -3.512 1.034 1.00 0.00 O ATOM 1535 CB LEU A 97 8.584 -6.616 1.173 1.00 0.00 C ATOM 1536 CG LEU A 97 7.915 -7.984 1.057 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.599 -8.809 -0.006 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.930 -8.713 2.395 1.00 0.00 C ATOM 0 H LEU A 97 6.160 -6.238 0.816 1.00 0.00 H new ATOM 0 HA LEU A 97 7.682 -5.951 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.754 -6.221 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.563 -6.740 1.637 1.00 0.00 H new ATOM 0 HG LEU A 97 6.875 -7.835 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.114 -9.782 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.531 -8.296 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.648 -8.946 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.448 -9.684 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.961 -8.854 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.392 -8.123 3.137 1.00 0.00 H new ATOM 1550 N VAL A 98 9.132 -3.939 3.150 1.00 0.00 N ATOM 1551 CA VAL A 98 9.846 -2.668 3.303 1.00 0.00 C ATOM 1552 C VAL A 98 10.725 -2.364 2.093 1.00 0.00 C ATOM 1553 O VAL A 98 10.920 -1.202 1.734 1.00 0.00 O ATOM 1554 CB VAL A 98 10.716 -2.628 4.581 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.953 -1.973 5.723 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.184 -4.020 4.977 1.00 0.00 C ATOM 0 H VAL A 98 9.152 -4.538 3.975 1.00 0.00 H new ATOM 0 HA VAL A 98 9.072 -1.905 3.387 1.00 0.00 H new ATOM 0 HB VAL A 98 11.601 -2.030 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.579 -1.953 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.685 -0.954 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.047 -2.543 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.793 -3.956 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.318 -4.654 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.777 -4.448 4.169 1.00 0.00 H new ATOM 1566 N ASP A 99 11.243 -3.411 1.456 1.00 0.00 N ATOM 1567 CA ASP A 99 12.087 -3.238 0.279 1.00 0.00 C ATOM 1568 C ASP A 99 11.289 -2.591 -0.850 1.00 0.00 C ATOM 1569 O ASP A 99 11.837 -1.862 -1.677 1.00 0.00 O ATOM 1570 CB ASP A 99 12.646 -4.586 -0.180 1.00 0.00 C ATOM 1571 CG ASP A 99 13.912 -4.968 0.562 1.00 0.00 C ATOM 1572 OD1 ASP A 99 14.839 -5.504 -0.081 1.00 0.00 O ATOM 1573 OD2 ASP A 99 13.975 -4.732 1.787 1.00 0.00 O ATOM 0 H ASP A 99 11.094 -4.381 1.733 1.00 0.00 H new ATOM 0 HA ASP A 99 12.920 -2.586 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.892 -5.359 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.853 -4.546 -1.249 1.00 0.00 H new ATOM 1578 N ILE A 100 9.988 -2.864 -0.869 1.00 0.00 N ATOM 1579 CA ILE A 100 9.096 -2.314 -1.881 1.00 0.00 C ATOM 1580 C ILE A 100 8.955 -0.802 -1.720 1.00 0.00 C ATOM 1581 O ILE A 100 8.795 -0.303 -0.607 1.00 0.00 O ATOM 1582 CB ILE A 100 7.691 -2.947 -1.793 1.00 0.00 C ATOM 1583 CG1 ILE A 100 7.788 -4.475 -1.816 1.00 0.00 C ATOM 1584 CG2 ILE A 100 6.802 -2.439 -2.921 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.992 -5.056 -3.198 1.00 0.00 C ATOM 0 H ILE A 100 9.526 -3.468 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 100 9.538 -2.543 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 100 7.237 -2.651 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.614 -4.786 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.877 -4.894 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.816 -2.897 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.706 -1.356 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.247 -2.701 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.051 -6.142 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.155 -4.777 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.918 -4.668 -3.623 1.00 0.00 H new ATOM 1597 N PRO A 101 8.997 -0.051 -2.833 1.00 0.00 N ATOM 1598 CA PRO A 101 8.858 1.404 -2.798 1.00 0.00 C ATOM 1599 C PRO A 101 7.424 1.823 -2.494 1.00 0.00 C ATOM 1600 O PRO A 101 6.546 0.979 -2.322 1.00 0.00 O ATOM 1601 CB PRO A 101 9.255 1.833 -4.211 1.00 0.00 C ATOM 1602 CG PRO A 101 8.932 0.657 -5.065 1.00 0.00 C ATOM 1603 CD PRO A 101 9.169 -0.559 -4.208 1.00 0.00 C ATOM 0 HA PRO A 101 9.468 1.862 -2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.701 2.717 -4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.314 2.084 -4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.898 0.697 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.562 0.636 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.458 -1.354 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.167 -0.970 -4.362 1.00 0.00 H new ATOM 1611 N LYS A 102 7.190 3.127 -2.430 1.00 0.00 N ATOM 1612 CA LYS A 102 5.857 3.645 -2.150 1.00 0.00 C ATOM 1613 C LYS A 102 5.091 3.885 -3.448 1.00 0.00 C ATOM 1614 O LYS A 102 4.685 5.010 -3.743 1.00 0.00 O ATOM 1615 CB LYS A 102 5.951 4.944 -1.344 1.00 0.00 C ATOM 1616 CG LYS A 102 6.608 6.086 -2.104 1.00 0.00 C ATOM 1617 CD LYS A 102 5.621 7.205 -2.397 1.00 0.00 C ATOM 1618 CE LYS A 102 5.893 7.848 -3.747 1.00 0.00 C ATOM 1619 NZ LYS A 102 6.860 8.973 -3.642 1.00 0.00 N ATOM 0 H LYS A 102 7.903 3.843 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 102 5.316 2.904 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.949 5.248 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.515 4.755 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.442 6.479 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.021 5.710 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.605 6.810 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.683 7.961 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.283 7.097 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.957 8.212 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.018 9.384 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.477 9.702 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.762 8.621 -3.262 1.00 0.00 H new ATOM 1633 N ILE A 103 4.899 2.822 -4.223 1.00 0.00 N ATOM 1634 CA ILE A 103 4.183 2.929 -5.489 1.00 0.00 C ATOM 1635 C ILE A 103 3.425 1.644 -5.824 1.00 0.00 C ATOM 1636 O ILE A 103 2.303 1.703 -6.331 1.00 0.00 O ATOM 1637 CB ILE A 103 5.146 3.307 -6.638 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.417 3.328 -7.986 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.332 2.356 -6.681 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.618 4.592 -8.220 1.00 0.00 C ATOM 0 H ILE A 103 5.227 1.883 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 103 3.447 3.726 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 103 5.520 4.312 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.148 3.216 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.748 2.469 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.997 2.640 -7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.874 2.407 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.977 1.338 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.129 4.538 -9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.864 4.696 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.285 5.454 -8.196 1.00 0.00 H new ATOM 1652 N LEU A 104 4.012 0.486 -5.531 1.00 0.00 N ATOM 1653 CA LEU A 104 3.333 -0.779 -5.806 1.00 0.00 C ATOM 1654 C LEU A 104 2.049 -0.859 -4.991 1.00 0.00 C ATOM 1655 O LEU A 104 0.961 -0.937 -5.558 1.00 0.00 O ATOM 1656 CB LEU A 104 4.226 -1.996 -5.508 1.00 0.00 C ATOM 1657 CG LEU A 104 3.495 -3.352 -5.525 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.364 -3.885 -6.945 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.208 -4.366 -4.640 1.00 0.00 C ATOM 0 H LEU A 104 4.937 0.396 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 104 3.099 -0.804 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.033 -2.025 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.687 -1.860 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 104 2.493 -3.193 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.844 -4.843 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.798 -3.176 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.356 -4.018 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.672 -5.315 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.226 -4.513 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.237 -3.997 -3.615 1.00 0.00 H new ATOM 1671 N PRO A 105 2.150 -0.817 -3.646 1.00 0.00 N ATOM 1672 CA PRO A 105 0.981 -0.868 -2.766 1.00 0.00 C ATOM 1673 C PRO A 105 -0.094 0.104 -3.222 1.00 0.00 C ATOM 1674 O PRO A 105 -1.290 -0.152 -3.076 1.00 0.00 O ATOM 1675 CB PRO A 105 1.529 -0.459 -1.389 1.00 0.00 C ATOM 1676 CG PRO A 105 2.925 0.013 -1.633 1.00 0.00 C ATOM 1677 CD PRO A 105 3.392 -0.689 -2.874 1.00 0.00 C ATOM 0 HA PRO A 105 0.513 -1.852 -2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.921 0.329 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.516 -1.301 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.953 1.095 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.570 -0.223 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.146 -0.111 -3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.834 -1.660 -2.650 1.00 0.00 H new ATOM 1685 N ILE A 106 0.351 1.216 -3.793 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.555 2.232 -4.294 1.00 0.00 C ATOM 1687 C ILE A 106 -1.321 1.702 -5.501 1.00 0.00 C ATOM 1688 O ILE A 106 -2.502 2.000 -5.686 1.00 0.00 O ATOM 1689 CB ILE A 106 0.217 3.512 -4.672 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.807 4.170 -3.423 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.672 4.494 -5.421 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.072 3.508 -2.924 1.00 0.00 C ATOM 0 H ILE A 106 1.339 1.434 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.265 2.480 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 106 1.033 3.226 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.017 5.217 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.061 4.153 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.098 5.386 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.039 4.028 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.517 4.773 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.430 4.030 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.864 2.468 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.835 3.548 -3.702 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.637 0.903 -6.315 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.243 0.317 -7.501 1.00 0.00 C ATOM 1706 C ARG A 107 -2.012 -0.957 -7.154 1.00 0.00 C ATOM 1707 O ARG A 107 -2.880 -1.385 -7.911 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.172 0.018 -8.553 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.253 0.925 -9.770 1.00 0.00 C ATOM 1710 CD ARG A 107 0.332 2.298 -9.481 1.00 0.00 C ATOM 1711 NE ARG A 107 -0.685 3.243 -9.031 1.00 0.00 N ATOM 1712 CZ ARG A 107 -0.530 4.565 -9.048 1.00 0.00 C ATOM 1713 NH1 ARG A 107 0.600 5.101 -9.493 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -1.507 5.353 -8.621 1.00 0.00 N ATOM 0 H ARG A 107 0.340 0.647 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.950 1.039 -7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.813 0.120 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.268 -1.019 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.283 0.468 -10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.293 1.029 -10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.106 2.209 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.813 2.684 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.567 2.868 -8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.354 4.499 -9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.714 6.115 -9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.378 4.946 -8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.388 6.366 -8.634 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.700 -1.558 -6.006 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.388 -2.773 -5.581 1.00 0.00 C ATOM 1730 C ILE A 108 -3.805 -2.445 -5.141 1.00 0.00 C ATOM 1731 O ILE A 108 -4.763 -3.072 -5.586 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.652 -3.494 -4.431 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.150 -3.495 -4.680 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.152 -4.924 -4.296 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.238 -4.221 -5.947 1.00 0.00 C ATOM 0 H ILE A 108 -0.983 -1.227 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.406 -3.445 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.857 -2.958 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.204 -2.466 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.353 -3.961 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.623 -5.419 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.221 -4.917 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.970 -5.462 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.321 -4.187 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.088 -5.259 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.239 -3.741 -6.802 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.936 -1.438 -4.280 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.246 -1.015 -3.808 1.00 0.00 C ATOM 1749 C LEU A 109 -5.980 -0.289 -4.921 1.00 0.00 C ATOM 1750 O LEU A 109 -7.125 -0.610 -5.236 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.113 -0.119 -2.573 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.783 -0.845 -1.259 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.816 -2.359 -1.441 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.425 -0.404 -0.732 1.00 0.00 C ATOM 0 H LEU A 109 -3.154 -0.905 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.820 -1.896 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.335 0.620 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.047 0.428 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.546 -0.577 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.579 -2.845 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.810 -2.665 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.083 -2.651 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.208 -0.928 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.656 -0.638 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.437 0.670 -0.549 1.00 0.00 H new ATOM 1766 N SER A 110 -5.302 0.670 -5.543 1.00 0.00 N ATOM 1767 CA SER A 110 -5.890 1.406 -6.651 1.00 0.00 C ATOM 1768 C SER A 110 -6.149 0.447 -7.804 1.00 0.00 C ATOM 1769 O SER A 110 -7.092 0.620 -8.577 1.00 0.00 O ATOM 1770 CB SER A 110 -4.966 2.542 -7.100 1.00 0.00 C ATOM 1771 OG SER A 110 -3.934 2.059 -7.941 1.00 0.00 O ATOM 0 H SER A 110 -4.353 0.952 -5.300 1.00 0.00 H new ATOM 0 HA SER A 110 -6.831 1.849 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.546 3.299 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.530 3.027 -6.227 1.00 0.00 H new ATOM 0 HG SER A 110 -3.563 2.801 -8.462 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.312 -0.585 -7.896 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.472 -1.583 -8.931 1.00 0.00 C ATOM 1779 C GLY A 111 -6.634 -2.502 -8.626 1.00 0.00 C ATOM 1780 O GLY A 111 -7.439 -2.807 -9.506 1.00 0.00 O ATOM 0 H GLY A 111 -4.524 -0.744 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.634 -1.093 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.556 -2.167 -9.022 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.739 -2.925 -7.366 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.837 -3.789 -6.945 1.00 0.00 C ATOM 1786 C LEU A 112 -9.156 -3.110 -7.279 1.00 0.00 C ATOM 1787 O LEU A 112 -10.125 -3.760 -7.667 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.765 -4.082 -5.438 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.670 -5.066 -4.998 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.215 -4.762 -3.576 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.162 -6.500 -5.084 1.00 0.00 C ATOM 0 H LEU A 112 -6.081 -2.684 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.761 -4.739 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.613 -3.140 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.730 -4.475 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.824 -4.946 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.439 -5.470 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.817 -3.748 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.062 -4.850 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.368 -7.177 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.028 -6.627 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.443 -6.727 -6.112 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.165 -1.787 -7.153 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.349 -1.004 -7.467 1.00 0.00 C ATOM 1805 C GLN A 113 -10.589 -0.996 -8.974 1.00 0.00 C ATOM 1806 O GLN A 113 -11.664 -0.614 -9.436 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.193 0.429 -6.953 1.00 0.00 C ATOM 1808 CG GLN A 113 -11.511 1.087 -6.577 1.00 0.00 C ATOM 1809 CD GLN A 113 -11.604 1.410 -5.099 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -12.447 0.868 -4.385 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -10.735 2.298 -4.632 1.00 0.00 N ATOM 0 H GLN A 113 -8.366 -1.238 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.208 -1.460 -6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.537 0.425 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -9.702 1.029 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.632 2.004 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.333 0.427 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.053 2.723 -5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.749 2.555 -3.645 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.586 -1.431 -9.741 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.704 -1.476 -11.187 1.00 0.00 C ATOM 1822 C GLU A 114 -10.566 -2.658 -11.615 1.00 0.00 C ATOM 1823 O GLU A 114 -11.127 -2.662 -12.710 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.320 -1.575 -11.834 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.175 -0.731 -13.091 1.00 0.00 C ATOM 1826 CD GLU A 114 -7.688 0.674 -12.797 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -8.153 1.268 -11.802 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.841 1.181 -13.564 1.00 0.00 O ATOM 0 H GLU A 114 -8.689 -1.754 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.182 -0.555 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.566 -1.266 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.117 -2.617 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.478 -1.218 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.136 -0.679 -13.602 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.669 -3.666 -10.747 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.465 -4.841 -11.061 1.00 0.00 C ATOM 1837 C TYR A 115 -12.931 -4.627 -10.673 1.00 0.00 C ATOM 1838 O TYR A 115 -13.698 -4.066 -11.452 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.883 -6.076 -10.369 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.539 -6.485 -10.927 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.359 -7.728 -11.520 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.454 -5.620 -10.871 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.132 -8.097 -12.040 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.225 -5.982 -11.385 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.070 -7.222 -11.970 1.00 0.00 C ATOM 1846 OH TYR A 115 -5.849 -7.583 -12.490 1.00 0.00 O ATOM 0 H TYR A 115 -10.215 -3.688 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.431 -5.006 -12.138 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.782 -5.875 -9.303 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.581 -6.907 -10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.189 -8.416 -11.576 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.574 -4.647 -10.417 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.007 -9.067 -12.499 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.390 -5.299 -11.330 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.209 -6.852 -12.360 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.311 -5.065 -9.467 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.687 -4.912 -8.981 1.00 0.00 C ATOM 1858 C GLU A 116 -14.960 -5.856 -7.810 1.00 0.00 C ATOM 1859 O GLU A 116 -15.833 -5.594 -6.983 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.702 -5.177 -10.104 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.135 -5.336 -9.617 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.145 -4.717 -10.563 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -18.976 -5.466 -11.119 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -18.105 -3.483 -10.750 1.00 0.00 O ATOM 0 H GLU A 116 -12.684 -5.529 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.801 -3.883 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.661 -4.355 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.409 -6.080 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.358 -6.396 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.234 -4.876 -8.634 1.00 0.00 H new ATOM 1871 N SER A 117 -14.219 -6.959 -7.754 1.00 0.00 N ATOM 1872 CA SER A 117 -14.396 -7.942 -6.690 1.00 0.00 C ATOM 1873 C SER A 117 -13.474 -7.660 -5.511 1.00 0.00 C ATOM 1874 O SER A 117 -13.840 -6.924 -4.596 1.00 0.00 O ATOM 1875 CB SER A 117 -14.166 -9.356 -7.230 1.00 0.00 C ATOM 1876 OG SER A 117 -15.323 -9.850 -7.880 1.00 0.00 O ATOM 0 H SER A 117 -13.493 -7.194 -8.430 1.00 0.00 H new ATOM 0 HA SER A 117 -15.422 -7.866 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.328 -9.350 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.894 -10.021 -6.411 1.00 0.00 H new ATOM 0 HG SER A 117 -15.148 -10.754 -8.217 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.279 -8.253 -5.531 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.305 -8.071 -4.455 1.00 0.00 C ATOM 1884 C ASN A 118 -11.991 -8.050 -3.090 1.00 0.00 C ATOM 1885 O ASN A 118 -11.557 -7.346 -2.181 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.522 -6.772 -4.663 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.425 -5.607 -5.020 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.974 -4.943 -4.142 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.585 -5.357 -6.314 1.00 0.00 N ATOM 0 H ASN A 118 -11.962 -8.865 -6.283 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.615 -8.915 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.968 -6.535 -3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.788 -6.916 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.183 -4.588 -6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.110 -5.934 -7.008 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.084 -8.801 -2.968 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.846 -8.839 -1.725 1.00 0.00 C ATOM 1898 C ALA A 119 -13.810 -10.205 -1.041 1.00 0.00 C ATOM 1899 O ALA A 119 -14.785 -10.598 -0.397 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.283 -8.435 -2.002 1.00 0.00 C ATOM 0 H ALA A 119 -13.459 -9.389 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.377 -8.135 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.854 -8.463 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.305 -7.425 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.723 -9.127 -2.720 1.00 0.00 H new ATOM 1906 N THR A 120 -12.695 -10.925 -1.149 1.00 0.00 N ATOM 1907 CA THR A 120 -12.586 -12.229 -0.502 1.00 0.00 C ATOM 1908 C THR A 120 -11.146 -12.500 -0.089 1.00 0.00 C ATOM 1909 O THR A 120 -10.208 -12.017 -0.721 1.00 0.00 O ATOM 1910 CB THR A 120 -13.114 -13.350 -1.414 1.00 0.00 C ATOM 1911 OG1 THR A 120 -12.062 -14.182 -1.867 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.857 -12.848 -2.637 1.00 0.00 C ATOM 0 H THR A 120 -11.868 -10.633 -1.669 1.00 0.00 H new ATOM 0 HA THR A 120 -13.205 -12.213 0.395 1.00 0.00 H new ATOM 0 HB THR A 120 -13.814 -13.904 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.427 -14.886 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.198 -13.697 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.717 -12.256 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.191 -12.230 -3.239 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.970 -13.279 0.973 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.637 -13.606 1.468 1.00 0.00 C ATOM 1922 C ASN A 121 -8.910 -14.562 0.530 1.00 0.00 C ATOM 1923 O ASN A 121 -8.060 -15.342 0.960 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.721 -14.211 2.870 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.706 -15.360 2.946 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -10.356 -16.513 2.696 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -11.951 -15.050 3.291 1.00 0.00 N ATOM 0 H ASN A 121 -11.733 -13.695 1.507 1.00 0.00 H new ATOM 0 HA ASN A 121 -9.066 -12.678 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.734 -14.562 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.014 -13.437 3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.659 -15.781 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.199 -14.081 3.490 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.236 -14.487 -0.752 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.608 -15.326 -1.749 1.00 0.00 C ATOM 1936 C GLU A 122 -9.016 -14.863 -3.136 1.00 0.00 C ATOM 1937 O GLU A 122 -9.058 -15.653 -4.080 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.999 -16.792 -1.543 1.00 0.00 C ATOM 1939 CG GLU A 122 -8.060 -17.774 -2.226 1.00 0.00 C ATOM 1940 CD GLU A 122 -8.736 -19.091 -2.557 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -8.016 -20.093 -2.756 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -9.982 -19.120 -2.615 1.00 0.00 O ATOM 0 H GLU A 122 -9.938 -13.847 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.526 -15.244 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.021 -17.007 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -10.010 -16.946 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.676 -17.326 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.203 -17.962 -1.579 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.330 -13.573 -3.255 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.746 -13.017 -4.520 1.00 0.00 C ATOM 1951 C LEU A 123 -9.002 -11.722 -4.778 1.00 0.00 C ATOM 1952 O LEU A 123 -8.409 -11.535 -5.840 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.248 -12.788 -4.500 1.00 0.00 C ATOM 1954 CG LEU A 123 -11.862 -12.444 -5.841 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.372 -12.525 -5.748 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.413 -11.064 -6.272 1.00 0.00 C ATOM 0 H LEU A 123 -9.301 -12.903 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.511 -13.712 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.732 -13.686 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.468 -11.982 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.528 -13.160 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.810 -12.277 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.665 -13.536 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.729 -11.820 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.858 -10.822 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.731 -10.330 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.327 -11.045 -6.358 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.006 -10.842 -3.787 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.293 -9.584 -3.903 1.00 0.00 C ATOM 1970 C LEU A 124 -6.839 -9.877 -4.242 1.00 0.00 C ATOM 1971 O LEU A 124 -6.259 -9.268 -5.140 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.421 -8.787 -2.601 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.134 -8.599 -1.795 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -7.043 -7.178 -1.281 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.079 -9.598 -0.651 1.00 0.00 C ATOM 0 H LEU A 124 -9.492 -10.977 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.722 -8.976 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.822 -7.802 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.154 -9.284 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.278 -8.781 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.123 -7.056 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.041 -6.486 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.899 -6.967 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.158 -9.453 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.936 -9.447 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.103 -10.611 -1.051 1.00 0.00 H new ATOM 1987 N SER A 125 -6.266 -10.843 -3.526 1.00 0.00 N ATOM 1988 CA SER A 125 -4.885 -11.251 -3.763 1.00 0.00 C ATOM 1989 C SER A 125 -4.642 -11.462 -5.254 1.00 0.00 C ATOM 1990 O SER A 125 -3.534 -11.260 -5.758 1.00 0.00 O ATOM 1991 CB SER A 125 -4.581 -12.542 -3.004 1.00 0.00 C ATOM 1992 OG SER A 125 -5.448 -13.589 -3.410 1.00 0.00 O ATOM 0 H SER A 125 -6.736 -11.355 -2.780 1.00 0.00 H new ATOM 0 HA SER A 125 -4.225 -10.461 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.546 -12.835 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.688 -12.372 -1.933 1.00 0.00 H new ATOM 0 HG SER A 125 -5.232 -14.404 -2.911 1.00 0.00 H new ATOM 1998 N SER A 126 -5.699 -11.863 -5.957 1.00 0.00 N ATOM 1999 CA SER A 126 -5.618 -12.100 -7.388 1.00 0.00 C ATOM 2000 C SER A 126 -5.211 -10.842 -8.123 1.00 0.00 C ATOM 2001 O SER A 126 -4.221 -10.826 -8.854 1.00 0.00 O ATOM 2002 CB SER A 126 -6.969 -12.579 -7.910 1.00 0.00 C ATOM 2003 OG SER A 126 -6.814 -13.520 -8.957 1.00 0.00 O ATOM 0 H SER A 126 -6.621 -12.030 -5.554 1.00 0.00 H new ATOM 0 HA SER A 126 -4.862 -12.865 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.537 -13.029 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.546 -11.726 -8.268 1.00 0.00 H new ATOM 0 HG SER A 126 -7.696 -13.810 -9.270 1.00 0.00 H new ATOM 2009 N HIS A 127 -5.980 -9.788 -7.923 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.692 -8.525 -8.569 1.00 0.00 C ATOM 2011 C HIS A 127 -4.325 -8.026 -8.136 1.00 0.00 C ATOM 2012 O HIS A 127 -3.622 -7.390 -8.903 1.00 0.00 O ATOM 2013 CB HIS A 127 -6.768 -7.487 -8.252 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.166 -8.028 -8.308 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.263 -7.323 -7.861 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.639 -9.210 -8.770 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.352 -8.046 -8.045 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.002 -9.195 -8.596 1.00 0.00 N ATOM 0 H HIS A 127 -6.804 -9.782 -7.322 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.689 -8.681 -9.648 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.585 -7.080 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.680 -6.660 -8.956 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.055 -10.013 -9.195 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.358 -7.749 -7.789 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.640 -9.949 -8.851 1.00 0.00 H new ATOM 2027 N VAL A 128 -3.934 -8.340 -6.907 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.626 -7.924 -6.421 1.00 0.00 C ATOM 2029 C VAL A 128 -1.540 -8.423 -7.363 1.00 0.00 C ATOM 2030 O VAL A 128 -0.644 -7.672 -7.748 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.341 -8.436 -4.998 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -0.993 -7.916 -4.502 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.460 -8.036 -4.049 1.00 0.00 C ATOM 0 H VAL A 128 -4.493 -8.872 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.627 -6.834 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.296 -9.525 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.808 -8.288 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.202 -8.262 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.006 -6.826 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.239 -8.408 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.543 -6.950 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.401 -8.464 -4.395 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.631 -9.698 -7.747 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.644 -10.252 -8.656 1.00 0.00 C ATOM 2045 C GLY A 129 -0.893 -9.843 -10.097 1.00 0.00 C ATOM 2046 O GLY A 129 0.043 -9.528 -10.829 1.00 0.00 O ATOM 0 H GLY A 129 -2.360 -10.346 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.350 -9.923 -8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.655 -11.339 -8.582 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.162 -9.839 -10.501 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.535 -9.455 -11.859 1.00 0.00 C ATOM 2052 C GLN A 130 -2.276 -7.965 -12.087 1.00 0.00 C ATOM 2053 O GLN A 130 -2.064 -7.525 -13.218 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.007 -9.781 -12.117 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.414 -9.644 -13.574 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.091 -10.883 -14.387 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -4.970 -11.698 -14.670 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -2.827 -11.032 -14.764 1.00 0.00 N ATOM 0 H GLN A 130 -2.949 -10.098 -9.906 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.922 -10.023 -12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.208 -10.800 -11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.628 -9.121 -11.511 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -5.484 -9.445 -13.632 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -3.906 -8.784 -14.011 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.132 -10.331 -14.507 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.551 -11.847 -15.311 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.266 -7.206 -10.997 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.001 -5.772 -11.047 1.00 0.00 C ATOM 2069 C ILE A 131 -0.496 -5.547 -10.945 1.00 0.00 C ATOM 2070 O ILE A 131 0.044 -4.572 -11.466 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.733 -5.031 -9.906 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.239 -5.178 -10.072 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.372 -3.552 -9.856 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -4.988 -4.912 -8.797 1.00 0.00 C ATOM 0 H ILE A 131 -2.440 -7.564 -10.058 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.373 -5.372 -11.990 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.412 -5.485 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.585 -4.490 -10.843 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.466 -6.186 -10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.911 -3.073 -9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.299 -3.445 -9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.647 -3.078 -10.798 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.057 -5.031 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.665 -5.617 -8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.786 -3.895 -8.462 1.00 0.00 H new ATOM 2086 N LEU A 132 0.171 -6.490 -10.279 1.00 0.00 N ATOM 2087 CA LEU A 132 1.615 -6.455 -10.103 1.00 0.00 C ATOM 2088 C LEU A 132 2.321 -6.515 -11.456 1.00 0.00 C ATOM 2089 O LEU A 132 3.203 -5.710 -11.745 1.00 0.00 O ATOM 2090 CB LEU A 132 2.053 -7.642 -9.241 1.00 0.00 C ATOM 2091 CG LEU A 132 2.764 -7.283 -7.937 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.771 -6.748 -6.916 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.495 -8.500 -7.390 1.00 0.00 C ATOM 0 H LEU A 132 -0.279 -7.298 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 132 1.886 -5.522 -9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.173 -8.239 -9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.715 -8.274 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 132 3.495 -6.500 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.296 -6.498 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.288 -5.855 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.017 -7.507 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.999 -8.235 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.779 -9.299 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.232 -8.839 -8.118 1.00 0.00 H new ATOM 2105 N ASP A 133 1.922 -7.482 -12.278 1.00 0.00 N ATOM 2106 CA ASP A 133 2.514 -7.655 -13.601 1.00 0.00 C ATOM 2107 C ASP A 133 2.381 -6.383 -14.429 1.00 0.00 C ATOM 2108 O ASP A 133 3.339 -5.931 -15.053 1.00 0.00 O ATOM 2109 CB ASP A 133 1.853 -8.825 -14.331 1.00 0.00 C ATOM 2110 CG ASP A 133 2.627 -10.119 -14.172 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.540 -10.371 -14.986 1.00 0.00 O ATOM 2112 OD2 ASP A 133 2.321 -10.881 -13.230 1.00 0.00 O ATOM 0 H ASP A 133 1.192 -8.157 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 133 3.574 -7.871 -13.470 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.841 -8.962 -13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.765 -8.585 -15.391 1.00 0.00 H new ATOM 2117 N SER A 134 1.185 -5.809 -14.422 1.00 0.00 N ATOM 2118 CA SER A 134 0.919 -4.584 -15.167 1.00 0.00 C ATOM 2119 C SER A 134 1.585 -3.385 -14.500 1.00 0.00 C ATOM 2120 O SER A 134 1.716 -2.320 -15.105 1.00 0.00 O ATOM 2121 CB SER A 134 -0.587 -4.348 -15.276 1.00 0.00 C ATOM 2122 OG SER A 134 -0.871 -3.242 -16.115 1.00 0.00 O ATOM 0 H SER A 134 0.382 -6.172 -13.908 1.00 0.00 H new ATOM 0 HA SER A 134 1.337 -4.699 -16.167 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.071 -5.242 -15.671 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.003 -4.172 -14.284 1.00 0.00 H new ATOM 0 HG SER A 134 -0.081 -2.664 -16.173 1.00 0.00 H new ATOM 2128 N PHE A 135 2.005 -3.561 -13.249 1.00 0.00 N ATOM 2129 CA PHE A 135 2.653 -2.491 -12.501 1.00 0.00 C ATOM 2130 C PHE A 135 3.867 -1.950 -13.250 1.00 0.00 C ATOM 2131 O PHE A 135 3.956 -0.753 -13.525 1.00 0.00 O ATOM 2132 CB PHE A 135 3.084 -2.993 -11.124 1.00 0.00 C ATOM 2133 CG PHE A 135 3.595 -1.902 -10.230 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.820 -2.026 -9.597 1.00 0.00 C ATOM 2135 CD2 PHE A 135 2.851 -0.753 -10.030 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.293 -1.020 -8.779 1.00 0.00 C ATOM 2137 CE2 PHE A 135 3.318 0.254 -9.214 1.00 0.00 C ATOM 2138 CZ PHE A 135 4.540 0.122 -8.586 1.00 0.00 C ATOM 0 H PHE A 135 1.907 -4.436 -12.734 1.00 0.00 H new ATOM 0 HA PHE A 135 1.931 -1.683 -12.384 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.238 -3.482 -10.642 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.861 -3.747 -11.246 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.411 -2.918 -9.745 1.00 0.00 H new ATOM 0 HD2 PHE A 135 1.894 -0.644 -10.519 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.250 -1.125 -8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 135 2.728 1.146 -9.066 1.00 0.00 H new ATOM 0 HZ PHE A 135 4.907 0.910 -7.945 1.00 0.00 H new