USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 51 THR OG1 : rot 116:sc= -0.701 USER MOD Set 1.2: A 97 MET CE :methyl -179:sc= -1.12 (180deg=-0.5) USER MOD Set 1.3: A 101 LYS NZ :NH3+ 144:sc= 0.265 (180deg=-1.27!) USER MOD Set 2.1: A 93 ASN : amide:sc= -3.29! K(o=-3.2!,f=0.55) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0.0982 USER MOD Set 3.1: A 59 MET CE :methyl 153:sc= 0 (180deg=-0.548) USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 19 ASN : amide:sc= -0.182 K(o=-0.3,f=-0.99) USER MOD Set 4.2: A 28 THR OG1 : rot 92:sc= -0.119 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= -1 USER MOD Set 5.2: A 92 ASN : amide:sc= -4.07! C(o=-5.1!,f=-9.7!) USER MOD Single : A 4 SER OG : rot 37:sc= 0.384 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -5:sc= 0.976 USER MOD Single : A 31 SER OG : rot 180:sc= 0.121 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.00747 USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0442 (180deg=-0.282) USER MOD Single : A 38 HIS : no HD1:sc= -3.35 K(o=-3.4,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= -0.851 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -49:sc= 0.165 USER MOD Single : A 55 SER OG : rot 170:sc= -1.03 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 165:sc=-0.00318 (180deg=-0.221) USER MOD Single : A 99 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.8) USER MOD Single : A 102 MET CE :methyl 152:sc= 0 (180deg=-0.000183) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.3!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.952 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -7.824 7.355 5.447 1.00 0.00 N ATOM 47 CA SER A 4 -7.411 6.750 6.708 1.00 0.00 C ATOM 48 C SER A 4 -8.395 5.666 7.137 1.00 0.00 C ATOM 49 O SER A 4 -9.572 5.939 7.374 1.00 0.00 O ATOM 50 CB SER A 4 -7.298 7.815 7.802 1.00 0.00 C ATOM 51 OG SER A 4 -8.522 8.512 7.964 1.00 0.00 O ATOM 0 HA SER A 4 -6.433 6.292 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.016 7.345 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.506 8.519 7.548 1.00 0.00 H new ATOM 0 HG SER A 4 -9.270 7.889 7.853 1.00 0.00 H new ATOM 57 N GLY A 5 -7.900 4.439 7.236 1.00 0.00 N ATOM 58 CA GLY A 5 -8.741 3.327 7.637 1.00 0.00 C ATOM 59 C GLY A 5 -7.927 2.168 8.174 1.00 0.00 C ATOM 60 O GLY A 5 -6.750 2.027 7.844 1.00 0.00 O ATOM 0 H GLY A 5 -6.929 4.193 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.445 3.661 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.331 2.992 6.784 1.00 0.00 H new ATOM 64 N ALA A 6 -8.545 1.342 9.006 1.00 0.00 N ATOM 65 CA ALA A 6 -7.853 0.201 9.583 1.00 0.00 C ATOM 66 C ALA A 6 -7.506 -0.832 8.522 1.00 0.00 C ATOM 67 O ALA A 6 -8.309 -1.128 7.638 1.00 0.00 O ATOM 68 CB ALA A 6 -8.683 -0.439 10.681 1.00 0.00 C ATOM 0 H ALA A 6 -9.518 1.440 9.295 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.924 0.570 10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.143 -1.290 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.870 0.291 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.633 -0.778 10.268 1.00 0.00 H new ATOM 74 N ALA A 7 -6.302 -1.375 8.620 1.00 0.00 N ATOM 75 CA ALA A 7 -5.837 -2.379 7.673 1.00 0.00 C ATOM 76 C ALA A 7 -4.795 -3.304 8.298 1.00 0.00 C ATOM 77 O ALA A 7 -4.014 -2.886 9.150 1.00 0.00 O ATOM 78 CB ALA A 7 -5.266 -1.704 6.437 1.00 0.00 C ATOM 0 H ALA A 7 -5.627 -1.137 9.347 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.693 -2.991 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.921 -2.463 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.038 -1.097 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.429 -1.068 6.724 1.00 0.00 H new ATOM 84 N ILE A 8 -4.787 -4.565 7.863 1.00 0.00 N ATOM 85 CA ILE A 8 -3.837 -5.543 8.378 1.00 0.00 C ATOM 86 C ILE A 8 -2.627 -5.670 7.468 1.00 0.00 C ATOM 87 O ILE A 8 -2.744 -5.621 6.243 1.00 0.00 O ATOM 88 CB ILE A 8 -4.469 -6.936 8.499 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.785 -6.870 9.256 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.520 -7.917 9.176 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.605 -8.115 9.068 1.00 0.00 C ATOM 0 H ILE A 8 -5.427 -4.929 7.157 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.536 -5.182 9.362 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.666 -7.295 7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.586 -6.724 10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.355 -6.005 8.917 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.997 -8.895 9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.605 -8.001 8.590 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.278 -7.558 10.176 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.537 -8.025 9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.828 -8.248 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.046 -8.977 9.432 1.00 0.00 H new ATOM 103 N PHE A 9 -1.471 -5.859 8.080 1.00 0.00 N ATOM 104 CA PHE A 9 -0.233 -6.028 7.338 1.00 0.00 C ATOM 105 C PHE A 9 0.679 -7.006 8.066 1.00 0.00 C ATOM 106 O PHE A 9 1.260 -6.677 9.099 1.00 0.00 O ATOM 107 CB PHE A 9 0.463 -4.682 7.142 1.00 0.00 C ATOM 108 CG PHE A 9 1.749 -4.781 6.373 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.771 -5.333 5.104 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.933 -4.322 6.922 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.954 -5.425 4.394 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.119 -4.409 6.219 1.00 0.00 C ATOM 113 CZ PHE A 9 4.130 -4.961 4.953 1.00 0.00 C ATOM 0 H PHE A 9 -1.363 -5.899 9.094 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.465 -6.434 6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.213 -4.005 6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.665 -4.241 8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.854 -5.696 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.930 -3.890 7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.959 -5.858 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.036 -4.046 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.056 -5.030 4.401 1.00 0.00 H new ATOM 123 N GLU A 10 0.790 -8.213 7.519 1.00 0.00 N ATOM 124 CA GLU A 10 1.618 -9.263 8.103 1.00 0.00 C ATOM 125 C GLU A 10 0.923 -9.919 9.296 1.00 0.00 C ATOM 126 O GLU A 10 1.520 -10.082 10.361 1.00 0.00 O ATOM 127 CB GLU A 10 2.979 -8.706 8.524 1.00 0.00 C ATOM 128 CG GLU A 10 3.662 -7.881 7.445 1.00 0.00 C ATOM 129 CD GLU A 10 5.054 -7.434 7.845 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.165 -6.480 8.641 1.00 0.00 O ATOM 131 OE2 GLU A 10 6.033 -8.040 7.362 1.00 0.00 O ATOM 0 H GLU A 10 0.311 -8.490 6.662 1.00 0.00 H new ATOM 0 HA GLU A 10 1.772 -10.025 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.850 -8.089 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.630 -9.534 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.722 -8.468 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.053 -7.005 7.223 1.00 0.00 H new ATOM 138 N LYS A 11 -0.335 -10.316 9.101 1.00 0.00 N ATOM 139 CA LYS A 11 -1.105 -10.980 10.139 1.00 0.00 C ATOM 140 C LYS A 11 -1.315 -10.101 11.371 1.00 0.00 C ATOM 141 O LYS A 11 -1.749 -10.586 12.416 1.00 0.00 O ATOM 142 CB LYS A 11 -0.412 -12.277 10.519 1.00 0.00 C ATOM 143 CG LYS A 11 -0.757 -13.428 9.593 1.00 0.00 C ATOM 144 CD LYS A 11 -2.021 -14.146 10.042 1.00 0.00 C ATOM 145 CE LYS A 11 -2.276 -15.393 9.212 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.731 -15.673 9.065 1.00 0.00 N ATOM 0 H LYS A 11 -0.840 -10.185 8.225 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.097 -11.188 9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.667 -12.122 10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.687 -12.544 11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.892 -13.052 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.073 -14.134 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.932 -14.419 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.873 -13.471 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.828 -15.271 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.787 -16.247 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.863 -16.531 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.154 -15.815 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.194 -14.869 8.595 1.00 0.00 H new ATOM 160 N VAL A 12 -1.042 -8.807 11.241 1.00 0.00 N ATOM 161 CA VAL A 12 -1.239 -7.879 12.332 1.00 0.00 C ATOM 162 C VAL A 12 -2.146 -6.752 11.867 1.00 0.00 C ATOM 163 O VAL A 12 -2.039 -6.296 10.731 1.00 0.00 O ATOM 164 CB VAL A 12 0.095 -7.312 12.856 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.146 -6.287 13.956 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.991 -8.435 13.355 1.00 0.00 C ATOM 0 H VAL A 12 -0.683 -8.383 10.386 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.704 -8.416 13.159 1.00 0.00 H new ATOM 0 HB VAL A 12 0.600 -6.809 12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.810 -5.901 14.310 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.746 -5.466 13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.675 -6.759 14.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.929 -8.017 13.721 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.491 -8.968 14.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.197 -9.127 12.538 1.00 0.00 H new ATOM 176 N SER A 13 -3.060 -6.326 12.725 1.00 0.00 N ATOM 177 CA SER A 13 -3.995 -5.272 12.359 1.00 0.00 C ATOM 178 C SER A 13 -3.607 -3.936 12.971 1.00 0.00 C ATOM 179 O SER A 13 -3.086 -3.867 14.084 1.00 0.00 O ATOM 180 CB SER A 13 -5.415 -5.649 12.787 1.00 0.00 C ATOM 181 OG SER A 13 -5.682 -7.016 12.524 1.00 0.00 O ATOM 0 H SER A 13 -3.175 -6.689 13.671 1.00 0.00 H new ATOM 0 HA SER A 13 -3.960 -5.166 11.275 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.543 -5.449 13.851 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.135 -5.026 12.257 1.00 0.00 H new ATOM 0 HG SER A 13 -6.595 -7.232 12.808 1.00 0.00 H new ATOM 187 N GLY A 14 -3.879 -2.876 12.223 1.00 0.00 N ATOM 188 CA GLY A 14 -3.573 -1.537 12.673 1.00 0.00 C ATOM 189 C GLY A 14 -4.262 -0.494 11.821 1.00 0.00 C ATOM 190 O GLY A 14 -4.979 -0.834 10.880 1.00 0.00 O ATOM 0 H GLY A 14 -4.312 -2.924 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.882 -1.422 13.712 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.495 -1.379 12.642 1.00 0.00 H new ATOM 194 N ILE A 15 -4.053 0.775 12.140 1.00 0.00 N ATOM 195 CA ILE A 15 -4.672 1.852 11.382 1.00 0.00 C ATOM 196 C ILE A 15 -3.753 2.335 10.268 1.00 0.00 C ATOM 197 O ILE A 15 -2.592 2.671 10.499 1.00 0.00 O ATOM 198 CB ILE A 15 -5.065 3.026 12.296 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.125 2.552 13.304 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.565 4.210 11.470 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.439 3.308 13.241 1.00 0.00 C ATOM 0 H ILE A 15 -3.463 1.083 12.913 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.581 1.453 10.932 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.189 3.367 12.847 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.321 1.493 13.134 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.717 2.643 14.311 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.837 5.029 12.136 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.777 4.540 10.793 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.438 3.907 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.126 2.907 13.986 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.261 4.364 13.443 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.875 3.197 12.248 1.00 0.00 H new ATOM 213 N ILE A 16 -4.290 2.353 9.056 1.00 0.00 N ATOM 214 CA ILE A 16 -3.544 2.777 7.886 1.00 0.00 C ATOM 215 C ILE A 16 -3.921 4.204 7.494 1.00 0.00 C ATOM 216 O ILE A 16 -5.076 4.488 7.178 1.00 0.00 O ATOM 217 CB ILE A 16 -3.809 1.806 6.703 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.623 0.856 6.525 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.093 2.565 5.407 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.706 -0.010 5.283 1.00 0.00 C ATOM 0 H ILE A 16 -5.251 2.075 8.859 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.481 2.758 8.128 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.697 1.221 6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.705 1.442 6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.553 0.211 7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.274 1.854 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.973 3.195 5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.235 3.189 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.829 -0.655 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.605 -0.624 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.744 0.625 4.398 1.00 0.00 H new ATOM 232 N ALA A 17 -2.937 5.097 7.516 1.00 0.00 N ATOM 233 CA ALA A 17 -3.164 6.492 7.162 1.00 0.00 C ATOM 234 C ALA A 17 -2.405 6.857 5.892 1.00 0.00 C ATOM 235 O ALA A 17 -1.290 6.386 5.667 1.00 0.00 O ATOM 236 CB ALA A 17 -2.752 7.403 8.306 1.00 0.00 C ATOM 0 H ALA A 17 -1.975 4.879 7.775 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.229 6.628 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.928 8.442 8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.339 7.162 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.693 7.260 8.522 1.00 0.00 H new ATOM 242 N ILE A 18 -3.013 7.698 5.064 1.00 0.00 N ATOM 243 CA ILE A 18 -2.391 8.122 3.821 1.00 0.00 C ATOM 244 C ILE A 18 -1.824 9.534 3.954 1.00 0.00 C ATOM 245 O ILE A 18 -2.559 10.489 4.204 1.00 0.00 O ATOM 246 CB ILE A 18 -3.403 8.054 2.649 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.233 6.741 1.884 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.249 9.242 1.711 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.396 6.421 0.970 1.00 0.00 C ATOM 0 H ILE A 18 -3.936 8.098 5.233 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.569 7.440 3.605 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.408 8.093 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.319 6.790 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.107 5.927 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.974 9.162 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.422 10.166 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.241 9.250 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.208 5.477 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.310 6.340 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.509 7.216 0.233 1.00 0.00 H new ATOM 261 N ASN A 19 -0.512 9.654 3.785 1.00 0.00 N ATOM 262 CA ASN A 19 0.154 10.945 3.885 1.00 0.00 C ATOM 263 C ASN A 19 0.605 11.431 2.513 1.00 0.00 C ATOM 264 O ASN A 19 1.533 10.882 1.921 1.00 0.00 O ATOM 265 CB ASN A 19 1.358 10.851 4.825 1.00 0.00 C ATOM 266 CG ASN A 19 0.954 10.524 6.250 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.205 10.690 6.632 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.909 10.057 7.043 1.00 0.00 N ATOM 0 H ASN A 19 0.110 8.873 3.578 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.559 11.663 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.042 10.085 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.901 11.796 4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.697 9.819 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.856 9.935 6.684 1.00 0.00 H new ATOM 275 N GLU A 20 -0.058 12.469 2.016 1.00 0.00 N ATOM 276 CA GLU A 20 0.275 13.037 0.716 1.00 0.00 C ATOM 277 C GLU A 20 0.899 14.421 0.868 1.00 0.00 C ATOM 278 O GLU A 20 1.349 15.021 -0.110 1.00 0.00 O ATOM 279 CB GLU A 20 -0.972 13.118 -0.168 1.00 0.00 C ATOM 280 CG GLU A 20 -2.214 13.589 0.572 1.00 0.00 C ATOM 281 CD GLU A 20 -3.439 13.642 -0.319 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.749 12.617 -0.963 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.087 14.708 -0.376 1.00 0.00 O ATOM 0 H GLU A 20 -0.830 12.934 2.494 1.00 0.00 H new ATOM 0 HA GLU A 20 1.004 12.381 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.775 13.796 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.166 12.136 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.408 12.920 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.030 14.579 0.990 1.00 0.00 H new ATOM 290 N ASP A 21 0.924 14.927 2.099 1.00 0.00 N ATOM 291 CA ASP A 21 1.493 16.239 2.374 1.00 0.00 C ATOM 292 C ASP A 21 2.974 16.284 2.014 1.00 0.00 C ATOM 293 O ASP A 21 3.541 17.360 1.829 1.00 0.00 O ATOM 294 CB ASP A 21 1.306 16.598 3.849 1.00 0.00 C ATOM 295 CG ASP A 21 1.661 18.042 4.144 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.790 18.832 3.184 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.811 18.386 5.335 1.00 0.00 O ATOM 0 H ASP A 21 0.556 14.446 2.920 1.00 0.00 H new ATOM 0 HA ASP A 21 0.968 16.968 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.270 16.416 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.926 15.942 4.461 1.00 0.00 H new ATOM 302 N VAL A 22 3.596 15.115 1.915 1.00 0.00 N ATOM 303 CA VAL A 22 5.004 15.036 1.579 1.00 0.00 C ATOM 304 C VAL A 22 5.192 14.780 0.085 1.00 0.00 C ATOM 305 O VAL A 22 4.277 14.989 -0.710 1.00 0.00 O ATOM 306 CB VAL A 22 5.721 13.947 2.414 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.635 12.580 1.748 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.169 14.337 2.679 1.00 0.00 C ATOM 0 H VAL A 22 3.144 14.213 2.063 1.00 0.00 H new ATOM 0 HA VAL A 22 5.457 15.997 1.823 1.00 0.00 H new ATOM 0 HB VAL A 22 5.206 13.873 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.150 11.842 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.589 12.294 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.105 12.624 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.654 13.558 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.693 14.455 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.198 15.278 3.229 1.00 0.00 H new ATOM 318 N SER A 23 6.379 14.324 -0.286 1.00 0.00 N ATOM 319 CA SER A 23 6.684 14.038 -1.681 1.00 0.00 C ATOM 320 C SER A 23 7.969 13.218 -1.800 1.00 0.00 C ATOM 321 O SER A 23 9.054 13.709 -1.486 1.00 0.00 O ATOM 322 CB SER A 23 6.823 15.340 -2.471 1.00 0.00 C ATOM 323 OG SER A 23 8.108 15.910 -2.297 1.00 0.00 O ATOM 0 H SER A 23 7.148 14.144 0.360 1.00 0.00 H new ATOM 0 HA SER A 23 5.861 13.455 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.648 15.147 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.061 16.049 -2.146 1.00 0.00 H new ATOM 0 HG SER A 23 8.609 15.390 -1.635 1.00 0.00 H new ATOM 329 N PRO A 24 7.871 11.953 -2.253 1.00 0.00 N ATOM 330 CA PRO A 24 6.600 11.326 -2.637 1.00 0.00 C ATOM 331 C PRO A 24 5.731 10.981 -1.432 1.00 0.00 C ATOM 332 O PRO A 24 6.240 10.714 -0.343 1.00 0.00 O ATOM 333 CB PRO A 24 7.039 10.053 -3.357 1.00 0.00 C ATOM 334 CG PRO A 24 8.360 9.719 -2.756 1.00 0.00 C ATOM 335 CD PRO A 24 9.011 11.033 -2.424 1.00 0.00 C ATOM 0 HA PRO A 24 5.987 11.991 -3.246 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.321 9.246 -3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.122 10.214 -4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.238 9.108 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.972 9.146 -3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.611 10.965 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.676 11.363 -3.222 1.00 0.00 H new ATOM 343 N ALA A 25 4.418 10.978 -1.638 1.00 0.00 N ATOM 344 CA ALA A 25 3.473 10.654 -0.571 1.00 0.00 C ATOM 345 C ALA A 25 3.808 9.301 0.052 1.00 0.00 C ATOM 346 O ALA A 25 4.650 8.565 -0.463 1.00 0.00 O ATOM 347 CB ALA A 25 2.052 10.646 -1.115 1.00 0.00 C ATOM 0 H ALA A 25 3.982 11.196 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 25 3.550 11.417 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.356 10.403 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.811 11.629 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.969 9.899 -1.905 1.00 0.00 H new ATOM 353 N GLU A 26 3.150 8.974 1.160 1.00 0.00 N ATOM 354 CA GLU A 26 3.394 7.706 1.838 1.00 0.00 C ATOM 355 C GLU A 26 2.201 7.291 2.695 1.00 0.00 C ATOM 356 O GLU A 26 1.507 8.133 3.263 1.00 0.00 O ATOM 357 CB GLU A 26 4.647 7.804 2.711 1.00 0.00 C ATOM 358 CG GLU A 26 5.911 8.124 1.928 1.00 0.00 C ATOM 359 CD GLU A 26 7.158 8.067 2.788 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.378 9.011 3.577 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.916 7.081 2.673 1.00 0.00 O ATOM 0 H GLU A 26 2.448 9.565 1.605 1.00 0.00 H new ATOM 0 HA GLU A 26 3.543 6.946 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.493 8.574 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.786 6.861 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.011 7.420 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.821 9.118 1.490 1.00 0.00 H new ATOM 368 N LEU A 27 1.977 5.983 2.788 1.00 0.00 N ATOM 369 CA LEU A 27 0.875 5.445 3.580 1.00 0.00 C ATOM 370 C LEU A 27 1.404 4.799 4.858 1.00 0.00 C ATOM 371 O LEU A 27 2.126 3.803 4.808 1.00 0.00 O ATOM 372 CB LEU A 27 0.083 4.423 2.762 1.00 0.00 C ATOM 373 CG LEU A 27 -1.164 3.866 3.449 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.141 3.323 2.418 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.782 2.784 4.445 1.00 0.00 C ATOM 0 H LEU A 27 2.545 5.275 2.324 1.00 0.00 H new ATOM 0 HA LEU A 27 0.212 6.266 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.216 4.887 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.742 3.592 2.512 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.652 4.676 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.023 2.930 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.438 4.124 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.664 2.525 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.681 2.398 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.272 1.973 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.118 3.203 5.201 1.00 0.00 H new ATOM 387 N THR A 28 1.061 5.387 5.999 1.00 0.00 N ATOM 388 CA THR A 28 1.506 4.905 7.282 1.00 0.00 C ATOM 389 C THR A 28 0.576 3.829 7.837 1.00 0.00 C ATOM 390 O THR A 28 -0.634 3.861 7.616 1.00 0.00 O ATOM 391 CB THR A 28 1.561 6.089 8.235 1.00 0.00 C ATOM 392 OG1 THR A 28 1.471 7.312 7.524 1.00 0.00 O ATOM 393 CG2 THR A 28 2.824 6.133 9.046 1.00 0.00 C ATOM 0 H THR A 28 0.465 6.213 6.050 1.00 0.00 H new ATOM 0 HA THR A 28 2.490 4.450 7.171 1.00 0.00 H new ATOM 0 HB THR A 28 0.713 5.959 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.533 7.589 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.803 7.000 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.905 5.225 9.643 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.683 6.206 8.379 1.00 0.00 H new ATOM 401 N TRP A 29 1.157 2.888 8.571 1.00 0.00 N ATOM 402 CA TRP A 29 0.406 1.806 9.181 1.00 0.00 C ATOM 403 C TRP A 29 0.792 1.651 10.643 1.00 0.00 C ATOM 404 O TRP A 29 1.894 1.205 10.958 1.00 0.00 O ATOM 405 CB TRP A 29 0.664 0.487 8.455 1.00 0.00 C ATOM 406 CG TRP A 29 -0.078 -0.659 9.070 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.414 -0.707 9.321 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.466 -1.901 9.531 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.745 -1.915 9.889 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.608 -2.663 10.028 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.751 -2.452 9.565 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.438 -3.937 10.550 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.917 -3.724 10.087 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.824 -4.454 10.572 1.00 0.00 C ATOM 0 H TRP A 29 2.159 2.856 8.758 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.653 2.054 9.106 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.370 0.587 7.410 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.733 0.272 8.467 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.113 0.088 9.106 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.684 -2.205 10.162 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.598 -1.896 9.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.278 -4.501 10.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.904 -4.160 10.121 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.984 -5.445 10.971 1.00 0.00 H new ATOM 425 N ARG A 30 -0.121 2.002 11.533 1.00 0.00 N ATOM 426 CA ARG A 30 0.138 1.877 12.960 1.00 0.00 C ATOM 427 C ARG A 30 -0.608 0.672 13.521 1.00 0.00 C ATOM 428 O ARG A 30 -1.814 0.541 13.328 1.00 0.00 O ATOM 429 CB ARG A 30 -0.286 3.151 13.697 1.00 0.00 C ATOM 430 CG ARG A 30 0.104 3.161 15.166 1.00 0.00 C ATOM 431 CD ARG A 30 -0.284 4.470 15.835 1.00 0.00 C ATOM 432 NE ARG A 30 -1.733 4.615 15.953 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.340 5.752 16.294 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.625 6.841 16.551 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.660 5.798 16.377 1.00 0.00 N ATOM 0 H ARG A 30 -1.041 2.373 11.297 1.00 0.00 H new ATOM 0 HA ARG A 30 1.208 1.733 13.109 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.164 4.013 13.204 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.367 3.265 13.616 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.382 2.331 15.679 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.179 3.008 15.259 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.167 4.519 16.826 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.118 5.304 15.260 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.314 3.799 15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.607 6.810 16.488 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.093 7.709 16.812 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.213 4.964 16.180 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.125 6.668 16.638 1.00 0.00 H new ATOM 449 N SER A 31 0.111 -0.212 14.209 1.00 0.00 N ATOM 450 CA SER A 31 -0.501 -1.401 14.775 1.00 0.00 C ATOM 451 C SER A 31 -1.587 -1.030 15.771 1.00 0.00 C ATOM 452 O SER A 31 -1.622 0.091 16.284 1.00 0.00 O ATOM 453 CB SER A 31 0.558 -2.276 15.450 1.00 0.00 C ATOM 454 OG SER A 31 1.209 -1.572 16.495 1.00 0.00 O ATOM 0 H SER A 31 1.112 -0.124 14.385 1.00 0.00 H new ATOM 0 HA SER A 31 -0.959 -1.966 13.963 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.090 -3.176 15.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.292 -2.599 14.712 1.00 0.00 H new ATOM 0 HG SER A 31 1.880 -2.152 16.912 1.00 0.00 H new ATOM 460 N THR A 32 -2.467 -1.980 16.049 1.00 0.00 N ATOM 461 CA THR A 32 -3.548 -1.775 16.985 1.00 0.00 C ATOM 462 C THR A 32 -2.990 -1.456 18.364 1.00 0.00 C ATOM 463 O THR A 32 -3.591 -0.719 19.144 1.00 0.00 O ATOM 464 CB THR A 32 -4.392 -3.044 17.023 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.427 -2.993 16.058 1.00 0.00 O ATOM 466 CG2 THR A 32 -5.021 -3.317 18.361 1.00 0.00 C ATOM 0 H THR A 32 -2.447 -2.910 15.631 1.00 0.00 H new ATOM 0 HA THR A 32 -4.166 -0.933 16.673 1.00 0.00 H new ATOM 0 HB THR A 32 -3.692 -3.851 16.807 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.063 -3.215 15.176 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.605 -4.236 18.308 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.241 -3.426 19.114 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.674 -2.487 18.632 1.00 0.00 H new ATOM 474 N ASP A 33 -1.834 -2.031 18.646 1.00 0.00 N ATOM 475 CA ASP A 33 -1.167 -1.834 19.925 1.00 0.00 C ATOM 476 C ASP A 33 -0.621 -0.419 20.044 1.00 0.00 C ATOM 477 O ASP A 33 -0.576 0.156 21.132 1.00 0.00 O ATOM 478 CB ASP A 33 -0.036 -2.848 20.100 1.00 0.00 C ATOM 479 CG ASP A 33 0.514 -2.865 21.513 1.00 0.00 C ATOM 480 OD1 ASP A 33 -0.151 -2.315 22.416 1.00 0.00 O ATOM 481 OD2 ASP A 33 1.611 -3.429 21.716 1.00 0.00 O ATOM 0 H ASP A 33 -1.333 -2.643 18.002 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.904 -1.985 20.714 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.401 -3.843 19.843 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.769 -2.614 19.403 1.00 0.00 H new ATOM 486 N GLY A 34 -0.204 0.132 18.916 1.00 0.00 N ATOM 487 CA GLY A 34 0.345 1.473 18.900 1.00 0.00 C ATOM 488 C GLY A 34 1.813 1.492 19.264 1.00 0.00 C ATOM 489 O GLY A 34 2.329 2.500 19.749 1.00 0.00 O ATOM 0 H GLY A 34 -0.236 -0.327 18.006 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.212 1.907 17.909 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.209 2.099 19.599 1.00 0.00 H new ATOM 493 N ASP A 35 2.483 0.370 19.033 1.00 0.00 N ATOM 494 CA ASP A 35 3.902 0.249 19.341 1.00 0.00 C ATOM 495 C ASP A 35 4.733 0.102 18.069 1.00 0.00 C ATOM 496 O ASP A 35 5.940 0.345 18.075 1.00 0.00 O ATOM 497 CB ASP A 35 4.146 -0.943 20.265 1.00 0.00 C ATOM 498 CG ASP A 35 5.590 -1.040 20.717 1.00 0.00 C ATOM 499 OD1 ASP A 35 5.954 -0.352 21.693 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.356 -1.803 20.094 1.00 0.00 O ATOM 0 H ASP A 35 2.066 -0.470 18.633 1.00 0.00 H new ATOM 0 HA ASP A 35 4.213 1.163 19.848 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.500 -0.860 21.139 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.867 -1.862 19.749 1.00 0.00 H new ATOM 505 N LYS A 36 4.084 -0.299 16.981 1.00 0.00 N ATOM 506 CA LYS A 36 4.769 -0.476 15.707 1.00 0.00 C ATOM 507 C LYS A 36 4.100 0.345 14.612 1.00 0.00 C ATOM 508 O LYS A 36 2.877 0.324 14.466 1.00 0.00 O ATOM 509 CB LYS A 36 4.791 -1.956 15.315 1.00 0.00 C ATOM 510 CG LYS A 36 6.109 -2.646 15.630 1.00 0.00 C ATOM 511 CD LYS A 36 6.092 -4.102 15.197 1.00 0.00 C ATOM 512 CE LYS A 36 7.389 -4.806 15.559 1.00 0.00 C ATOM 513 NZ LYS A 36 7.612 -4.835 17.032 1.00 0.00 N ATOM 0 H LYS A 36 3.086 -0.507 16.956 1.00 0.00 H new ATOM 0 HA LYS A 36 5.795 -0.125 15.822 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.985 -2.474 15.835 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.590 -2.044 14.247 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.923 -2.125 15.126 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.306 -2.586 16.700 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.254 -4.614 15.671 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.933 -4.161 14.120 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.368 -5.826 15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.224 -4.300 15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.366 -5.516 17.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.892 -3.888 17.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.734 -5.121 17.510 1.00 0.00 H new ATOM 527 N VAL A 37 4.908 1.066 13.846 1.00 0.00 N ATOM 528 CA VAL A 37 4.394 1.896 12.764 1.00 0.00 C ATOM 529 C VAL A 37 5.160 1.648 11.470 1.00 0.00 C ATOM 530 O VAL A 37 6.377 1.821 11.414 1.00 0.00 O ATOM 531 CB VAL A 37 4.475 3.392 13.117 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.773 4.231 12.060 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.879 3.648 14.493 1.00 0.00 C ATOM 0 H VAL A 37 5.922 1.093 13.954 1.00 0.00 H new ATOM 0 HA VAL A 37 3.349 1.620 12.623 1.00 0.00 H new ATOM 0 HB VAL A 37 5.525 3.684 13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.841 5.285 12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.249 4.071 11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.725 3.939 12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.945 4.711 14.726 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.834 3.339 14.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.431 3.078 15.240 1.00 0.00 H new ATOM 543 N HIS A 38 4.436 1.244 10.431 1.00 0.00 N ATOM 544 CA HIS A 38 5.050 0.974 9.133 1.00 0.00 C ATOM 545 C HIS A 38 4.672 2.038 8.118 1.00 0.00 C ATOM 546 O HIS A 38 3.545 2.526 8.098 1.00 0.00 O ATOM 547 CB HIS A 38 4.645 -0.397 8.606 1.00 0.00 C ATOM 548 CG HIS A 38 5.274 -0.748 7.293 1.00 0.00 C ATOM 549 ND1 HIS A 38 6.138 -1.811 7.131 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.155 -0.174 6.072 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.524 -1.874 5.868 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.940 -0.893 5.206 1.00 0.00 N ATOM 0 H HIS A 38 3.427 1.096 10.461 1.00 0.00 H new ATOM 0 HA HIS A 38 6.130 0.990 9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.916 -1.154 9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.561 -0.430 8.499 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.554 0.689 5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.201 -2.604 5.450 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.054 -0.700 4.211 1.00 0.00 H new ATOM 561 N THR A 39 5.623 2.387 7.276 1.00 0.00 N ATOM 562 CA THR A 39 5.404 3.396 6.246 1.00 0.00 C ATOM 563 C THR A 39 5.489 2.778 4.854 1.00 0.00 C ATOM 564 O THR A 39 6.376 1.974 4.573 1.00 0.00 O ATOM 565 CB THR A 39 6.423 4.527 6.380 1.00 0.00 C ATOM 566 OG1 THR A 39 6.565 4.916 7.734 1.00 0.00 O ATOM 567 CG2 THR A 39 6.057 5.761 5.584 1.00 0.00 C ATOM 0 H THR A 39 6.562 1.988 7.281 1.00 0.00 H new ATOM 0 HA THR A 39 4.403 3.805 6.382 1.00 0.00 H new ATOM 0 HB THR A 39 7.355 4.123 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.223 5.640 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.822 6.524 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.989 5.505 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.096 6.144 5.927 1.00 0.00 H new ATOM 575 N VAL A 40 4.553 3.156 3.989 1.00 0.00 N ATOM 576 CA VAL A 40 4.514 2.636 2.627 1.00 0.00 C ATOM 577 C VAL A 40 4.650 3.758 1.604 1.00 0.00 C ATOM 578 O VAL A 40 4.100 4.845 1.784 1.00 0.00 O ATOM 579 CB VAL A 40 3.204 1.872 2.359 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.237 1.205 0.993 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.948 0.849 3.454 1.00 0.00 C ATOM 0 H VAL A 40 3.811 3.821 4.207 1.00 0.00 H new ATOM 0 HA VAL A 40 5.357 1.952 2.525 1.00 0.00 H new ATOM 0 HB VAL A 40 2.383 2.589 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.301 0.671 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.365 1.963 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.068 0.501 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.018 0.319 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.772 0.136 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.870 1.357 4.415 1.00 0.00 H new ATOM 591 N VAL A 41 5.379 3.485 0.527 1.00 0.00 N ATOM 592 CA VAL A 41 5.580 4.470 -0.529 1.00 0.00 C ATOM 593 C VAL A 41 4.512 4.329 -1.607 1.00 0.00 C ATOM 594 O VAL A 41 4.345 3.260 -2.193 1.00 0.00 O ATOM 595 CB VAL A 41 6.971 4.332 -1.174 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.263 5.523 -2.074 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.045 4.186 -0.106 1.00 0.00 C ATOM 0 H VAL A 41 5.840 2.590 0.363 1.00 0.00 H new ATOM 0 HA VAL A 41 5.505 5.455 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 41 6.978 3.431 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.250 5.408 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.512 5.576 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.236 6.440 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.021 4.090 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.040 5.066 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.844 3.298 0.493 1.00 0.00 H new ATOM 607 N LEU A 42 3.784 5.412 -1.859 1.00 0.00 N ATOM 608 CA LEU A 42 2.724 5.404 -2.861 1.00 0.00 C ATOM 609 C LEU A 42 3.257 5.754 -4.250 1.00 0.00 C ATOM 610 O LEU A 42 2.559 5.585 -5.249 1.00 0.00 O ATOM 611 CB LEU A 42 1.617 6.382 -2.463 1.00 0.00 C ATOM 612 CG LEU A 42 1.116 6.243 -1.022 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.083 7.147 -0.785 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.765 4.793 -0.713 1.00 0.00 C ATOM 0 H LEU A 42 3.908 6.306 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 42 2.317 4.394 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.982 7.399 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.773 6.247 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 42 1.916 6.551 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.425 7.035 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.203 8.184 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.887 6.871 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.411 4.715 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.018 4.455 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.650 4.169 -0.840 1.00 0.00 H new ATOM 626 N SER A 43 4.495 6.241 -4.310 1.00 0.00 N ATOM 627 CA SER A 43 5.105 6.608 -5.582 1.00 0.00 C ATOM 628 C SER A 43 5.645 5.378 -6.301 1.00 0.00 C ATOM 629 O SER A 43 5.706 5.342 -7.530 1.00 0.00 O ATOM 630 CB SER A 43 6.231 7.620 -5.361 1.00 0.00 C ATOM 631 OG SER A 43 7.218 7.102 -4.486 1.00 0.00 O ATOM 0 H SER A 43 5.091 6.389 -3.496 1.00 0.00 H new ATOM 0 HA SER A 43 4.336 7.063 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.687 7.876 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.820 8.541 -4.947 1.00 0.00 H new ATOM 0 HG SER A 43 8.091 7.486 -4.713 1.00 0.00 H new ATOM 637 N THR A 44 6.036 4.372 -5.527 1.00 0.00 N ATOM 638 CA THR A 44 6.568 3.141 -6.095 1.00 0.00 C ATOM 639 C THR A 44 5.446 2.225 -6.569 1.00 0.00 C ATOM 640 O THR A 44 5.646 1.376 -7.436 1.00 0.00 O ATOM 641 CB THR A 44 7.443 2.413 -5.071 1.00 0.00 C ATOM 642 OG1 THR A 44 8.057 1.278 -5.653 1.00 0.00 O ATOM 643 CG2 THR A 44 6.676 1.947 -3.853 1.00 0.00 C ATOM 0 H THR A 44 5.995 4.385 -4.508 1.00 0.00 H new ATOM 0 HA THR A 44 7.179 3.408 -6.957 1.00 0.00 H new ATOM 0 HB THR A 44 8.186 3.144 -4.754 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.613 0.827 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.355 1.439 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.231 2.807 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.889 1.259 -4.160 1.00 0.00 H new ATOM 651 N ILE A 45 4.262 2.405 -5.995 1.00 0.00 N ATOM 652 CA ILE A 45 3.103 1.598 -6.358 1.00 0.00 C ATOM 653 C ILE A 45 2.784 1.733 -7.842 1.00 0.00 C ATOM 654 O ILE A 45 2.044 2.629 -8.249 1.00 0.00 O ATOM 655 CB ILE A 45 1.861 1.996 -5.537 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.187 1.996 -4.042 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.704 1.050 -5.831 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.750 0.683 -3.544 1.00 0.00 C ATOM 0 H ILE A 45 4.079 3.104 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 45 3.357 0.561 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 45 1.564 3.004 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.904 2.791 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.282 2.229 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.165 1.345 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.457 1.096 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.991 0.032 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.957 0.757 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.026 -0.113 -3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.673 0.457 -4.078 1.00 0.00 H new ATOM 670 N ASP A 46 3.345 0.835 -8.645 1.00 0.00 N ATOM 671 CA ASP A 46 3.117 0.852 -10.083 1.00 0.00 C ATOM 672 C ASP A 46 1.630 0.712 -10.393 1.00 0.00 C ATOM 673 O ASP A 46 1.138 1.260 -11.378 1.00 0.00 O ATOM 674 CB ASP A 46 3.901 -0.274 -10.759 1.00 0.00 C ATOM 675 CG ASP A 46 3.879 -0.168 -12.271 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.514 0.909 -12.787 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.228 -1.164 -12.942 1.00 0.00 O ATOM 0 H ASP A 46 3.960 0.087 -8.324 1.00 0.00 H new ATOM 0 HA ASP A 46 3.465 1.808 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.934 -0.253 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.483 -1.235 -10.459 1.00 0.00 H new ATOM 682 N LYS A 47 0.922 -0.026 -9.543 1.00 0.00 N ATOM 683 CA LYS A 47 -0.511 -0.237 -9.725 1.00 0.00 C ATOM 684 C LYS A 47 -1.160 -0.704 -8.427 1.00 0.00 C ATOM 685 O LYS A 47 -0.474 -1.017 -7.454 1.00 0.00 O ATOM 686 CB LYS A 47 -0.762 -1.268 -10.828 1.00 0.00 C ATOM 687 CG LYS A 47 -0.472 -0.749 -12.228 1.00 0.00 C ATOM 688 CD LYS A 47 -1.035 -1.677 -13.292 1.00 0.00 C ATOM 689 CE LYS A 47 -0.300 -3.008 -13.316 1.00 0.00 C ATOM 690 NZ LYS A 47 -1.213 -4.141 -13.635 1.00 0.00 N ATOM 0 H LYS A 47 1.316 -0.487 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.957 0.714 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.144 -2.146 -10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.801 -1.594 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.903 0.245 -12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.605 -0.648 -12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.095 -1.849 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.959 -1.200 -14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.500 -2.968 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.169 -3.181 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.674 -5.030 -13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.962 -4.196 -12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.641 -3.989 -14.570 1.00 0.00 H new ATOM 704 N LEU A 48 -2.488 -0.753 -8.420 1.00 0.00 N ATOM 705 CA LEU A 48 -3.233 -1.186 -7.244 1.00 0.00 C ATOM 706 C LEU A 48 -4.150 -2.356 -7.584 1.00 0.00 C ATOM 707 O LEU A 48 -4.795 -2.368 -8.632 1.00 0.00 O ATOM 708 CB LEU A 48 -4.052 -0.025 -6.675 1.00 0.00 C ATOM 709 CG LEU A 48 -5.154 0.503 -7.597 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.422 0.785 -6.807 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.685 1.757 -8.321 1.00 0.00 C ATOM 0 H LEU A 48 -3.071 -0.498 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.517 -1.516 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.506 -0.346 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.375 0.795 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.377 -0.262 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.194 1.160 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.768 -0.134 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.215 1.532 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.480 2.120 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.435 2.527 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.804 1.524 -8.919 1.00 0.00 H new ATOM 723 N GLN A 49 -4.203 -3.339 -6.691 1.00 0.00 N ATOM 724 CA GLN A 49 -5.041 -4.513 -6.896 1.00 0.00 C ATOM 725 C GLN A 49 -5.926 -4.767 -5.680 1.00 0.00 C ATOM 726 O GLN A 49 -5.442 -5.166 -4.621 1.00 0.00 O ATOM 727 CB GLN A 49 -4.173 -5.741 -7.175 1.00 0.00 C ATOM 728 CG GLN A 49 -4.877 -6.810 -7.995 1.00 0.00 C ATOM 729 CD GLN A 49 -4.706 -6.606 -9.487 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.702 -7.012 -10.071 1.00 0.00 O ATOM 731 NE2 GLN A 49 -5.689 -5.970 -10.112 1.00 0.00 N ATOM 0 H GLN A 49 -3.675 -3.345 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.682 -4.326 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.271 -5.427 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.854 -6.173 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.487 -7.790 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.939 -6.809 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.504 -5.650 -9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.630 -5.801 -11.116 1.00 0.00 H new ATOM 740 N ALA A 50 -7.225 -4.535 -5.839 1.00 0.00 N ATOM 741 CA ALA A 50 -8.176 -4.737 -4.753 1.00 0.00 C ATOM 742 C ALA A 50 -9.053 -5.958 -5.013 1.00 0.00 C ATOM 743 O ALA A 50 -9.295 -6.326 -6.162 1.00 0.00 O ATOM 744 CB ALA A 50 -9.035 -3.497 -4.565 1.00 0.00 C ATOM 0 H ALA A 50 -7.643 -4.207 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.612 -4.915 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.740 -3.663 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.398 -2.646 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.584 -3.292 -5.484 1.00 0.00 H new ATOM 750 N THR A 51 -9.530 -6.578 -3.938 1.00 0.00 N ATOM 751 CA THR A 51 -10.380 -7.756 -4.051 1.00 0.00 C ATOM 752 C THR A 51 -11.759 -7.383 -4.593 1.00 0.00 C ATOM 753 O THR A 51 -12.267 -6.296 -4.322 1.00 0.00 O ATOM 754 CB THR A 51 -10.524 -8.440 -2.690 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.852 -7.495 -1.687 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.270 -9.163 -2.247 1.00 0.00 C ATOM 0 H THR A 51 -9.342 -6.284 -2.980 1.00 0.00 H new ATOM 0 HA THR A 51 -9.908 -8.447 -4.750 1.00 0.00 H new ATOM 0 HB THR A 51 -11.320 -9.173 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.741 -7.695 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.441 -9.625 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.017 -9.933 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.448 -8.452 -2.171 1.00 0.00 H new ATOM 764 N PRO A 52 -12.384 -8.285 -5.371 1.00 0.00 N ATOM 765 CA PRO A 52 -13.707 -8.043 -5.952 1.00 0.00 C ATOM 766 C PRO A 52 -14.818 -8.081 -4.907 1.00 0.00 C ATOM 767 O PRO A 52 -14.656 -8.666 -3.836 1.00 0.00 O ATOM 768 CB PRO A 52 -13.873 -9.193 -6.948 1.00 0.00 C ATOM 769 CG PRO A 52 -13.016 -10.286 -6.407 1.00 0.00 C ATOM 770 CD PRO A 52 -11.849 -9.608 -5.746 1.00 0.00 C ATOM 0 HA PRO A 52 -13.777 -7.054 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.915 -9.506 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.556 -8.899 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.568 -10.897 -5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.681 -10.950 -7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.504 -10.163 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.000 -9.520 -6.424 1.00 0.00 H new ATOM 778 N ALA A 53 -15.945 -7.455 -5.227 1.00 0.00 N ATOM 779 CA ALA A 53 -17.084 -7.416 -4.317 1.00 0.00 C ATOM 780 C ALA A 53 -17.704 -8.801 -4.138 1.00 0.00 C ATOM 781 O ALA A 53 -18.501 -9.020 -3.225 1.00 0.00 O ATOM 782 CB ALA A 53 -18.128 -6.433 -4.823 1.00 0.00 C ATOM 0 H ALA A 53 -16.094 -6.967 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.723 -7.084 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.973 -6.413 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.689 -5.437 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.471 -6.743 -5.810 1.00 0.00 H new ATOM 788 N SER A 54 -17.336 -9.735 -5.012 1.00 0.00 N ATOM 789 CA SER A 54 -17.861 -11.095 -4.945 1.00 0.00 C ATOM 790 C SER A 54 -16.987 -11.986 -4.062 1.00 0.00 C ATOM 791 O SER A 54 -17.278 -13.168 -3.881 1.00 0.00 O ATOM 792 CB SER A 54 -17.959 -11.692 -6.347 1.00 0.00 C ATOM 793 OG SER A 54 -18.801 -12.833 -6.360 1.00 0.00 O ATOM 0 H SER A 54 -16.677 -9.574 -5.774 1.00 0.00 H new ATOM 0 HA SER A 54 -18.856 -11.047 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.346 -10.943 -7.038 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.964 -11.966 -6.699 1.00 0.00 H new ATOM 0 HG SER A 54 -18.541 -13.440 -5.635 1.00 0.00 H new ATOM 799 N SER A 55 -15.916 -11.414 -3.514 1.00 0.00 N ATOM 800 CA SER A 55 -15.011 -12.160 -2.652 1.00 0.00 C ATOM 801 C SER A 55 -15.188 -11.746 -1.199 1.00 0.00 C ATOM 802 O SER A 55 -14.869 -10.619 -0.821 1.00 0.00 O ATOM 803 CB SER A 55 -13.561 -11.937 -3.086 1.00 0.00 C ATOM 804 OG SER A 55 -13.285 -12.606 -4.304 1.00 0.00 O ATOM 0 H SER A 55 -15.657 -10.437 -3.654 1.00 0.00 H new ATOM 0 HA SER A 55 -15.250 -13.220 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.373 -10.870 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.886 -12.296 -2.309 1.00 0.00 H new ATOM 0 HG SER A 55 -12.411 -12.321 -4.643 1.00 0.00 H new ATOM 810 N GLU A 56 -15.691 -12.667 -0.387 1.00 0.00 N ATOM 811 CA GLU A 56 -15.904 -12.401 1.030 1.00 0.00 C ATOM 812 C GLU A 56 -14.600 -11.979 1.702 1.00 0.00 C ATOM 813 O GLU A 56 -14.612 -11.380 2.779 1.00 0.00 O ATOM 814 CB GLU A 56 -16.471 -13.640 1.724 1.00 0.00 C ATOM 815 CG GLU A 56 -16.874 -13.397 3.169 1.00 0.00 C ATOM 816 CD GLU A 56 -18.085 -12.493 3.293 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.879 -12.430 2.330 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.240 -11.848 4.351 1.00 0.00 O ATOM 0 H GLU A 56 -15.959 -13.605 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.621 -11.585 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.340 -13.992 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.727 -14.436 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.088 -14.352 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.036 -12.952 3.706 1.00 0.00 H new ATOM 825 N LYS A 57 -13.479 -12.293 1.061 1.00 0.00 N ATOM 826 CA LYS A 57 -12.169 -11.944 1.597 1.00 0.00 C ATOM 827 C LYS A 57 -11.731 -10.568 1.107 1.00 0.00 C ATOM 828 O LYS A 57 -11.211 -10.428 -0.001 1.00 0.00 O ATOM 829 CB LYS A 57 -11.133 -12.996 1.194 1.00 0.00 C ATOM 830 CG LYS A 57 -11.394 -14.367 1.794 1.00 0.00 C ATOM 831 CD LYS A 57 -10.274 -15.341 1.466 1.00 0.00 C ATOM 832 CE LYS A 57 -10.584 -16.740 1.976 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.123 -17.616 0.900 1.00 0.00 N ATOM 0 H LYS A 57 -13.452 -12.788 0.170 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.244 -11.916 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.117 -13.081 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.144 -12.656 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.496 -14.279 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.339 -14.757 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.121 -15.372 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.343 -14.989 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.678 -17.186 2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.307 -16.678 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.321 -18.560 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.001 -17.204 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.423 -17.696 0.135 1.00 0.00 H new ATOM 847 N MET A 58 -11.946 -9.553 1.938 1.00 0.00 N ATOM 848 CA MET A 58 -11.573 -8.187 1.589 1.00 0.00 C ATOM 849 C MET A 58 -10.091 -7.943 1.848 1.00 0.00 C ATOM 850 O MET A 58 -9.644 -7.936 2.996 1.00 0.00 O ATOM 851 CB MET A 58 -12.415 -7.188 2.385 1.00 0.00 C ATOM 852 CG MET A 58 -12.266 -7.331 3.892 1.00 0.00 C ATOM 853 SD MET A 58 -13.829 -7.138 4.768 1.00 0.00 S ATOM 854 CE MET A 58 -14.587 -8.732 4.461 1.00 0.00 C ATOM 0 H MET A 58 -12.376 -9.651 2.858 1.00 0.00 H new ATOM 0 HA MET A 58 -11.763 -8.046 0.525 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.133 -6.176 2.095 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.464 -7.316 2.118 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.845 -8.310 4.120 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.557 -6.587 4.255 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.565 -8.768 4.941 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.704 -8.878 3.387 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.954 -9.520 4.868 1.00 0.00 H new ATOM 864 N MET A 59 -9.332 -7.747 0.775 1.00 0.00 N ATOM 865 CA MET A 59 -7.898 -7.505 0.885 1.00 0.00 C ATOM 866 C MET A 59 -7.419 -6.558 -0.211 1.00 0.00 C ATOM 867 O MET A 59 -7.913 -6.599 -1.338 1.00 0.00 O ATOM 868 CB MET A 59 -7.132 -8.826 0.801 1.00 0.00 C ATOM 869 CG MET A 59 -7.547 -9.838 1.856 1.00 0.00 C ATOM 870 SD MET A 59 -6.643 -11.393 1.721 1.00 0.00 S ATOM 871 CE MET A 59 -7.444 -12.362 2.995 1.00 0.00 C ATOM 0 H MET A 59 -9.686 -7.751 -0.181 1.00 0.00 H new ATOM 0 HA MET A 59 -7.706 -7.039 1.852 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.282 -9.261 -0.187 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.065 -8.625 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.384 -9.412 2.846 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.615 -10.034 1.765 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.371 -13.421 2.747 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.955 -12.180 3.952 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.494 -12.077 3.063 1.00 0.00 H new ATOM 881 N LEU A 60 -6.456 -5.706 0.126 1.00 0.00 N ATOM 882 CA LEU A 60 -5.912 -4.751 -0.833 1.00 0.00 C ATOM 883 C LEU A 60 -4.441 -5.045 -1.119 1.00 0.00 C ATOM 884 O LEU A 60 -3.614 -5.063 -0.208 1.00 0.00 O ATOM 885 CB LEU A 60 -6.066 -3.323 -0.305 1.00 0.00 C ATOM 886 CG LEU A 60 -6.132 -2.235 -1.380 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.944 -2.344 -2.324 1.00 0.00 C ATOM 888 CD2 LEU A 60 -7.439 -2.331 -2.153 1.00 0.00 C ATOM 0 H LEU A 60 -6.037 -5.657 1.055 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.471 -4.849 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.973 -3.271 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.229 -3.106 0.359 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.092 -1.262 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.008 -1.563 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.019 -2.227 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.953 -3.320 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.470 -1.551 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.507 -3.308 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.277 -2.204 -1.468 1.00 0.00 H new ATOM 900 N ARG A 61 -4.127 -5.279 -2.388 1.00 0.00 N ATOM 901 CA ARG A 61 -2.758 -5.576 -2.798 1.00 0.00 C ATOM 902 C ARG A 61 -2.198 -4.463 -3.676 1.00 0.00 C ATOM 903 O ARG A 61 -2.869 -3.986 -4.591 1.00 0.00 O ATOM 904 CB ARG A 61 -2.708 -6.909 -3.549 1.00 0.00 C ATOM 905 CG ARG A 61 -1.312 -7.305 -3.998 1.00 0.00 C ATOM 906 CD ARG A 61 -1.342 -8.549 -4.871 1.00 0.00 C ATOM 907 NE ARG A 61 -1.831 -9.717 -4.143 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.196 -10.856 -4.727 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.128 -10.986 -6.046 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.630 -11.870 -3.990 1.00 0.00 N ATOM 0 H ARG A 61 -4.802 -5.269 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.144 -5.648 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.110 -7.693 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.357 -6.848 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.859 -6.482 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.685 -7.486 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.979 -8.369 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.340 -8.751 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.897 -9.656 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.794 -10.210 -6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.409 -11.862 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.684 -11.777 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.910 -12.743 -4.438 1.00 0.00 H new ATOM 924 N LEU A 62 -0.968 -4.053 -3.390 1.00 0.00 N ATOM 925 CA LEU A 62 -0.319 -2.995 -4.155 1.00 0.00 C ATOM 926 C LEU A 62 1.023 -3.463 -4.703 1.00 0.00 C ATOM 927 O LEU A 62 1.860 -3.983 -3.966 1.00 0.00 O ATOM 928 CB LEU A 62 -0.131 -1.750 -3.286 1.00 0.00 C ATOM 929 CG LEU A 62 -1.041 -0.575 -3.643 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.488 -0.904 -3.312 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.598 0.683 -2.914 1.00 0.00 C ATOM 0 H LEU A 62 -0.400 -4.437 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.962 -2.743 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.304 -2.022 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.906 -1.424 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.966 -0.394 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.122 -0.057 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.801 -1.780 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.579 -1.111 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.257 1.509 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.643 0.515 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.425 0.928 -3.200 1.00 0.00 H new ATOM 943 N ILE A 63 1.216 -3.281 -6.004 1.00 0.00 N ATOM 944 CA ILE A 63 2.454 -3.689 -6.657 1.00 0.00 C ATOM 945 C ILE A 63 3.372 -2.496 -6.896 1.00 0.00 C ATOM 946 O ILE A 63 2.931 -1.441 -7.353 1.00 0.00 O ATOM 947 CB ILE A 63 2.174 -4.384 -8.002 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.071 -5.430 -7.836 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.444 -5.025 -8.542 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.324 -4.844 -7.852 1.00 0.00 C ATOM 0 H ILE A 63 0.531 -2.854 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 63 2.948 -4.393 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 63 1.836 -3.636 -8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.156 -6.166 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.223 -5.961 -6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.230 -5.512 -9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.204 -4.258 -8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.809 -5.765 -7.830 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.056 -5.643 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.428 -4.129 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.495 -4.338 -8.802 1.00 0.00 H new ATOM 962 N GLY A 64 4.652 -2.670 -6.582 1.00 0.00 N ATOM 963 CA GLY A 64 5.613 -1.600 -6.770 1.00 0.00 C ATOM 964 C GLY A 64 6.280 -1.649 -8.131 1.00 0.00 C ATOM 965 O GLY A 64 6.200 -2.657 -8.833 1.00 0.00 O ATOM 0 H GLY A 64 5.040 -3.533 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.111 -0.640 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.375 -1.660 -5.993 1.00 0.00 H new ATOM 1311 N ARG A 86 5.643 -6.195 -4.165 1.00 0.00 N ATOM 1312 CA ARG A 86 4.264 -5.781 -3.931 1.00 0.00 C ATOM 1313 C ARG A 86 3.875 -5.989 -2.472 1.00 0.00 C ATOM 1314 O ARG A 86 4.353 -6.913 -1.816 1.00 0.00 O ATOM 1315 CB ARG A 86 3.316 -6.565 -4.841 1.00 0.00 C ATOM 1316 CG ARG A 86 3.300 -8.059 -4.561 1.00 0.00 C ATOM 1317 CD ARG A 86 2.544 -8.819 -5.638 1.00 0.00 C ATOM 1318 NE ARG A 86 2.440 -10.243 -5.332 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.679 -10.739 -4.359 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.955 -9.930 -3.595 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.643 -12.048 -4.147 1.00 0.00 N ATOM 0 HA ARG A 86 4.184 -4.719 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.306 -6.171 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.605 -6.402 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.323 -8.430 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.838 -8.244 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.545 -8.397 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.049 -8.690 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 86 2.983 -10.896 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.980 -8.922 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.374 -10.316 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.198 -12.674 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.060 -12.428 -3.401 1.00 0.00 H new ATOM 1335 N HIS A 87 2.999 -5.122 -1.970 1.00 0.00 N ATOM 1336 CA HIS A 87 2.542 -5.212 -0.588 1.00 0.00 C ATOM 1337 C HIS A 87 1.111 -5.731 -0.525 1.00 0.00 C ATOM 1338 O HIS A 87 0.195 -5.129 -1.087 1.00 0.00 O ATOM 1339 CB HIS A 87 2.628 -3.843 0.091 1.00 0.00 C ATOM 1340 CG HIS A 87 4.011 -3.477 0.532 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.344 -3.247 1.851 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.151 -3.303 -0.179 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.628 -2.946 1.932 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.141 -2.974 0.714 1.00 0.00 N ATOM 0 H HIS A 87 2.593 -4.351 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 87 3.190 -5.912 -0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.262 -3.082 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.966 -3.834 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.261 -3.404 -1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.167 -2.716 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 87 7.114 -2.782 0.476 1.00 0.00 H new ATOM 1353 N MET A 88 0.923 -6.851 0.164 1.00 0.00 N ATOM 1354 CA MET A 88 -0.398 -7.449 0.300 1.00 0.00 C ATOM 1355 C MET A 88 -1.013 -7.099 1.651 1.00 0.00 C ATOM 1356 O MET A 88 -0.469 -7.442 2.700 1.00 0.00 O ATOM 1357 CB MET A 88 -0.315 -8.968 0.143 1.00 0.00 C ATOM 1358 CG MET A 88 -1.672 -9.654 0.129 1.00 0.00 C ATOM 1359 SD MET A 88 -1.541 -11.452 0.086 1.00 0.00 S ATOM 1360 CE MET A 88 -1.001 -11.793 1.758 1.00 0.00 C ATOM 0 H MET A 88 1.669 -7.362 0.636 1.00 0.00 H new ATOM 0 HA MET A 88 -1.035 -7.046 -0.487 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.210 -9.201 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.281 -9.377 0.959 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.235 -9.356 1.014 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.238 -9.314 -0.738 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.129 -12.854 1.972 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.051 -11.526 1.862 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.595 -11.207 2.459 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.150 -6.409 1.616 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.836 -6.009 2.839 1.00 0.00 C ATOM 1372 C PHE A 89 -4.142 -6.775 3.012 1.00 0.00 C ATOM 1373 O PHE A 89 -4.735 -7.243 2.040 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.117 -4.505 2.820 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.888 -3.663 2.992 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.353 -3.447 4.251 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.268 -3.087 1.895 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.222 -2.670 4.413 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.136 -2.310 2.050 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.388 -2.101 3.311 1.00 0.00 C ATOM 0 H PHE A 89 -2.614 -6.116 0.756 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.185 -6.244 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.596 -4.245 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.825 -4.266 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.825 -3.891 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.674 -3.247 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.185 -2.507 5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.338 -1.867 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.273 -1.494 3.435 1.00 0.00 H new ATOM 1390 N SER A 90 -4.586 -6.893 4.258 1.00 0.00 N ATOM 1391 CA SER A 90 -5.826 -7.596 4.567 1.00 0.00 C ATOM 1392 C SER A 90 -6.773 -6.687 5.342 1.00 0.00 C ATOM 1393 O SER A 90 -6.421 -6.164 6.399 1.00 0.00 O ATOM 1394 CB SER A 90 -5.536 -8.864 5.373 1.00 0.00 C ATOM 1395 OG SER A 90 -5.111 -9.919 4.528 1.00 0.00 O ATOM 0 H SER A 90 -4.105 -6.510 5.072 1.00 0.00 H new ATOM 0 HA SER A 90 -6.303 -7.880 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.767 -8.658 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.432 -9.167 5.916 1.00 0.00 H new ATOM 0 HG SER A 90 -4.931 -10.717 5.067 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.973 -6.494 4.806 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.964 -5.638 5.442 1.00 0.00 C ATOM 1403 C PHE A 91 -9.980 -6.447 6.230 1.00 0.00 C ATOM 1404 O PHE A 91 -10.352 -7.554 5.842 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.683 -4.798 4.391 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.945 -3.547 4.028 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.919 -3.582 3.101 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.277 -2.342 4.618 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.232 -2.433 2.767 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.593 -1.185 4.290 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.569 -1.232 3.362 1.00 0.00 C ATOM 0 H PHE A 91 -8.282 -6.920 3.932 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.437 -4.985 6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.830 -5.399 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.673 -4.533 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.653 -4.519 2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.078 -2.303 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.432 -2.472 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.858 -0.248 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.033 -0.331 3.102 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.440 -5.871 7.334 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.432 -6.518 8.176 1.00 0.00 C ATOM 1423 C ASN A 92 -12.812 -5.906 7.944 1.00 0.00 C ATOM 1424 O ASN A 92 -13.752 -6.178 8.689 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.044 -6.391 9.650 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.794 -7.179 9.988 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.422 -8.111 9.276 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.139 -6.807 11.082 1.00 0.00 N ATOM 0 H ASN A 92 -10.139 -4.954 7.666 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.469 -7.575 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.884 -5.340 9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.869 -6.739 10.271 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.291 -7.300 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.484 -6.028 11.643 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.929 -5.077 6.904 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.194 -4.435 6.586 1.00 0.00 C ATOM 1437 C ASN A 93 -14.245 -4.005 5.124 1.00 0.00 C ATOM 1438 O ASN A 93 -13.331 -3.346 4.628 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.424 -3.228 7.496 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.896 -2.898 7.657 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.700 -3.755 8.026 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.256 -1.650 7.381 1.00 0.00 N ATOM 0 H ASN A 93 -12.163 -4.839 6.274 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.988 -5.163 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.990 -3.427 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.903 -2.363 7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.232 -1.369 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.556 -0.972 7.078 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.322 -4.380 4.442 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.498 -4.031 3.037 1.00 0.00 C ATOM 1451 C ARG A 94 -15.546 -2.518 2.858 1.00 0.00 C ATOM 1452 O ARG A 94 -14.985 -1.978 1.906 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.779 -4.663 2.489 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.743 -6.182 2.455 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.980 -6.752 1.780 1.00 0.00 C ATOM 1456 NE ARG A 94 -19.212 -6.298 2.420 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.680 -6.795 3.562 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.024 -7.761 4.194 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -20.808 -6.324 4.077 1.00 0.00 N ATOM 0 H ARG A 94 -16.086 -4.926 4.840 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.645 -4.419 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.623 -4.342 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.955 -4.290 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.851 -6.514 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.671 -6.568 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.988 -6.459 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.938 -7.841 1.806 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.745 -5.557 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.155 -8.127 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.389 -8.137 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.316 -5.581 3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -21.167 -6.705 4.952 1.00 0.00 H new ATOM 1473 N THR A 95 -16.218 -1.838 3.778 1.00 0.00 N ATOM 1474 CA THR A 95 -16.341 -0.402 3.727 1.00 0.00 C ATOM 1475 C THR A 95 -14.985 0.265 3.893 1.00 0.00 C ATOM 1476 O THR A 95 -14.644 1.203 3.172 1.00 0.00 O ATOM 1477 CB THR A 95 -17.294 0.046 4.824 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.134 -1.023 5.226 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.183 1.184 4.407 1.00 0.00 C ATOM 0 H THR A 95 -16.688 -2.271 4.573 1.00 0.00 H new ATOM 0 HA THR A 95 -16.735 -0.107 2.754 1.00 0.00 H new ATOM 0 HB THR A 95 -16.656 0.380 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.739 -0.716 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.839 1.456 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.570 2.043 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.786 0.880 3.551 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.217 -0.234 4.844 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.889 0.297 5.111 1.00 0.00 C ATOM 1489 C VAL A 96 -11.937 -0.046 3.977 1.00 0.00 C ATOM 1490 O VAL A 96 -11.035 0.725 3.652 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.319 -0.239 6.441 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.929 0.326 6.700 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.256 0.086 7.596 1.00 0.00 C ATOM 0 H VAL A 96 -14.490 -1.010 5.448 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.985 1.380 5.189 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.235 -1.323 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.547 -0.065 7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.261 0.035 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.982 1.413 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.836 -0.300 8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.376 1.167 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.227 -0.375 7.417 1.00 0.00 H new ATOM 1503 N MET A 97 -12.151 -1.206 3.376 1.00 0.00 N ATOM 1504 CA MET A 97 -11.316 -1.656 2.270 1.00 0.00 C ATOM 1505 C MET A 97 -11.688 -0.920 0.985 1.00 0.00 C ATOM 1506 O MET A 97 -10.841 -0.686 0.124 1.00 0.00 O ATOM 1507 CB MET A 97 -11.437 -3.177 2.088 1.00 0.00 C ATOM 1508 CG MET A 97 -12.490 -3.615 1.078 1.00 0.00 C ATOM 1509 SD MET A 97 -11.792 -3.936 -0.554 1.00 0.00 S ATOM 1510 CE MET A 97 -12.760 -5.355 -1.063 1.00 0.00 C ATOM 0 H MET A 97 -12.895 -1.854 3.634 1.00 0.00 H new ATOM 0 HA MET A 97 -10.277 -1.425 2.503 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.469 -3.570 1.777 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.669 -3.627 3.053 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.985 -4.516 1.441 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.254 -2.842 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.433 -5.684 -2.049 1.00 0.00 H new ATOM 0 HE2 MET A 97 -12.623 -6.165 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.814 -5.081 -1.103 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.961 -0.554 0.865 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.442 0.156 -0.309 1.00 0.00 C ATOM 1522 C ASP A 98 -13.115 1.641 -0.218 1.00 0.00 C ATOM 1523 O ASP A 98 -12.975 2.320 -1.235 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.950 -0.042 -0.473 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.474 0.556 -1.764 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -15.384 -0.120 -2.811 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -15.973 1.700 -1.729 1.00 0.00 O ATOM 0 H ASP A 98 -13.676 -0.739 1.569 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.936 -0.254 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.178 -1.108 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.468 0.413 0.371 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.993 2.138 1.006 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.681 3.542 1.231 1.00 0.00 C ATOM 1534 C ASN A 99 -11.221 3.831 0.902 1.00 0.00 C ATOM 1535 O ASN A 99 -10.867 4.943 0.511 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.979 3.931 2.680 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.464 3.929 2.985 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.295 3.953 2.078 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.805 3.903 4.268 1.00 0.00 N ATOM 0 H ASN A 99 -13.106 1.589 1.858 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.310 4.138 0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.472 3.238 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.571 4.922 2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.790 3.902 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.082 3.884 4.987 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.382 2.817 1.066 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.958 2.946 0.790 1.00 0.00 C ATOM 1548 C ILE A 100 -8.656 2.686 -0.684 1.00 0.00 C ATOM 1549 O ILE A 100 -7.850 3.385 -1.296 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.135 1.968 1.655 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.367 2.246 3.142 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.654 2.067 1.316 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.812 3.576 3.606 1.00 0.00 C ATOM 0 H ILE A 100 -10.665 1.892 1.390 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.675 3.969 1.037 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.467 0.953 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.438 2.218 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.911 1.448 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.091 1.370 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.504 1.820 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.305 3.082 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.014 3.703 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.736 3.601 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.286 4.383 3.047 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.306 1.673 -1.245 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.101 1.315 -2.644 1.00 0.00 C ATOM 1567 C LYS A 101 -9.380 2.502 -3.566 1.00 0.00 C ATOM 1568 O LYS A 101 -8.745 2.653 -4.609 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.993 0.122 -3.024 1.00 0.00 C ATOM 1570 CG LYS A 101 -11.429 0.493 -3.368 1.00 0.00 C ATOM 1571 CD LYS A 101 -12.173 -0.677 -3.992 1.00 0.00 C ATOM 1572 CE LYS A 101 -12.365 -1.812 -3.000 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.332 -3.144 -3.664 1.00 0.00 N ATOM 0 H LYS A 101 -9.979 1.085 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.056 1.031 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.549 -0.390 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.002 -0.587 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.948 0.816 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.433 1.337 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.145 -0.340 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.620 -1.040 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.584 -1.766 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.318 -1.687 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.869 -3.833 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.304 -3.456 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.800 -3.075 -4.555 1.00 0.00 H new ATOM 1587 N MET A 102 -10.340 3.336 -3.176 1.00 0.00 N ATOM 1588 CA MET A 102 -10.706 4.503 -3.973 1.00 0.00 C ATOM 1589 C MET A 102 -9.762 5.668 -3.722 1.00 0.00 C ATOM 1590 O MET A 102 -9.274 6.301 -4.658 1.00 0.00 O ATOM 1591 CB MET A 102 -12.145 4.921 -3.668 1.00 0.00 C ATOM 1592 CG MET A 102 -13.153 3.795 -3.828 1.00 0.00 C ATOM 1593 SD MET A 102 -13.928 3.782 -5.455 1.00 0.00 S ATOM 1594 CE MET A 102 -15.128 5.100 -5.267 1.00 0.00 C ATOM 0 H MET A 102 -10.877 3.226 -2.316 1.00 0.00 H new ATOM 0 HA MET A 102 -10.626 4.226 -5.024 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.196 5.300 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.423 5.743 -4.328 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.655 2.840 -3.660 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.924 3.892 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.327 5.552 -6.239 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.054 4.694 -4.859 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.734 5.857 -4.588 1.00 0.00 H new ATOM 1604 N THR A 103 -9.515 5.947 -2.454 1.00 0.00 N ATOM 1605 CA THR A 103 -8.630 7.041 -2.074 1.00 0.00 C ATOM 1606 C THR A 103 -7.224 6.809 -2.617 1.00 0.00 C ATOM 1607 O THR A 103 -6.599 7.717 -3.163 1.00 0.00 O ATOM 1608 CB THR A 103 -8.604 7.207 -0.550 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.250 8.532 -0.196 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.636 6.274 0.152 1.00 0.00 C ATOM 0 H THR A 103 -9.913 5.433 -1.668 1.00 0.00 H new ATOM 0 HA THR A 103 -9.015 7.962 -2.511 1.00 0.00 H new ATOM 0 HB THR A 103 -9.615 6.961 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.241 8.618 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.675 6.451 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.912 5.240 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.625 6.459 -0.210 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.737 5.581 -2.471 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.410 5.232 -2.958 1.00 0.00 C ATOM 1620 C LEU A 104 -5.355 5.344 -4.476 1.00 0.00 C ATOM 1621 O LEU A 104 -4.311 5.659 -5.048 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.037 3.812 -2.523 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.408 3.704 -1.133 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.306 2.248 -0.706 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.037 4.362 -1.116 1.00 0.00 C ATOM 0 H LEU A 104 -7.239 4.815 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.692 5.930 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.934 3.193 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.342 3.396 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.049 4.227 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.856 2.190 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.302 1.806 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.686 1.703 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.604 4.276 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.387 3.867 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.136 5.415 -1.379 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.487 5.086 -5.125 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.566 5.163 -6.577 1.00 0.00 C ATOM 1639 C GLN A 105 -6.394 6.598 -7.049 1.00 0.00 C ATOM 1640 O GLN A 105 -5.818 6.853 -8.107 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.901 4.599 -7.071 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.758 3.348 -7.923 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.525 3.439 -9.227 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -9.369 4.316 -9.405 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -8.236 2.526 -10.148 1.00 0.00 N ATOM 0 H GLN A 105 -7.360 4.822 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.757 4.563 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.530 4.372 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.417 5.365 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.703 3.178 -8.138 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.111 2.486 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.528 1.816 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.722 2.535 -11.045 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.895 7.532 -6.255 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.791 8.945 -6.586 1.00 0.00 C ATOM 1656 C GLN A 106 -5.333 9.378 -6.606 1.00 0.00 C ATOM 1657 O GLN A 106 -4.905 10.114 -7.495 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.581 9.792 -5.586 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.079 9.534 -5.619 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.833 10.349 -4.587 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.242 10.887 -3.652 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -11.148 10.442 -4.753 1.00 0.00 N ATOM 0 H GLN A 106 -7.377 7.337 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.215 9.097 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.209 9.594 -4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.398 10.847 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.463 9.768 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.265 8.474 -5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.596 9.979 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.709 10.976 -4.090 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.568 8.902 -5.630 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.152 9.226 -5.550 1.00 0.00 C ATOM 1673 C ILE A 107 -2.450 8.809 -6.838 1.00 0.00 C ATOM 1674 O ILE A 107 -1.643 9.554 -7.394 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.486 8.528 -4.348 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.122 9.005 -3.042 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.987 8.790 -4.343 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.793 8.129 -1.854 1.00 0.00 C ATOM 0 H ILE A 107 -4.905 8.292 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.060 10.304 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.643 7.453 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.790 10.022 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.204 9.042 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.533 8.290 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.547 8.406 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.805 9.863 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.278 8.528 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.150 7.116 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.714 8.111 -1.703 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.788 7.616 -7.315 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.221 7.090 -8.554 1.00 0.00 C ATOM 1692 C ILE A 108 -2.402 8.086 -9.678 1.00 0.00 C ATOM 1693 O ILE A 108 -1.458 8.455 -10.376 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.907 5.777 -8.973 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.137 4.862 -7.770 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.089 5.074 -10.040 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.953 4.767 -6.833 1.00 0.00 C ATOM 0 H ILE A 108 -3.455 6.992 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.163 6.906 -8.369 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.884 6.022 -9.390 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.001 5.223 -7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.384 3.863 -8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.585 4.147 -10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.996 5.721 -10.912 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.097 4.848 -9.648 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.196 4.100 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.091 4.376 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.717 5.757 -6.443 1.00 0.00 H new ATOM 1709 N SER A 109 -3.641 8.505 -9.835 1.00 0.00 N ATOM 1710 CA SER A 109 -4.013 9.463 -10.870 1.00 0.00 C ATOM 1711 C SER A 109 -3.181 10.733 -10.769 1.00 0.00 C ATOM 1712 O SER A 109 -2.904 11.389 -11.773 1.00 0.00 O ATOM 1713 CB SER A 109 -5.501 9.802 -10.770 1.00 0.00 C ATOM 1714 OG SER A 109 -6.296 8.629 -10.827 1.00 0.00 O ATOM 0 H SER A 109 -4.420 8.196 -9.254 1.00 0.00 H new ATOM 0 HA SER A 109 -3.816 9.003 -11.838 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.695 10.332 -9.837 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.780 10.474 -11.582 1.00 0.00 H new ATOM 0 HG SER A 109 -7.243 8.872 -10.759 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.788 11.075 -9.551 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.988 12.268 -9.315 1.00 0.00 C ATOM 1722 C ARG A 110 -0.569 12.082 -9.830 1.00 0.00 C ATOM 1723 O ARG A 110 0.064 13.028 -10.297 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.965 12.616 -7.825 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.328 12.999 -7.269 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.232 13.443 -5.819 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.549 13.608 -5.208 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.336 14.660 -5.417 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -4.945 15.643 -6.220 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.520 14.731 -4.823 1.00 0.00 N ATOM 0 H ARG A 110 -3.010 10.543 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.448 13.092 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.581 11.762 -7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.271 13.441 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.755 13.803 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.006 12.149 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.659 12.709 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.686 14.385 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.885 12.874 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.036 15.594 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.553 16.447 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.827 13.979 -4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.123 15.538 -4.983 1.00 0.00 H new ATOM 1744 N TYR A 111 -0.079 10.854 -9.749 1.00 0.00 N ATOM 1745 CA TYR A 111 1.265 10.538 -10.214 1.00 0.00 C ATOM 1746 C TYR A 111 1.331 10.581 -11.734 1.00 0.00 C ATOM 1747 O TYR A 111 2.375 10.876 -12.316 1.00 0.00 O ATOM 1748 CB TYR A 111 1.702 9.164 -9.705 1.00 0.00 C ATOM 1749 CG TYR A 111 2.253 9.191 -8.297 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.553 9.613 -8.048 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.474 8.797 -7.218 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.060 9.642 -6.764 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.974 8.822 -5.929 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.268 9.245 -5.708 1.00 0.00 C ATOM 1755 OH TYR A 111 3.769 9.272 -4.427 1.00 0.00 O ATOM 0 H TYR A 111 -0.591 10.059 -9.366 1.00 0.00 H new ATOM 0 HA TYR A 111 1.947 11.289 -9.816 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.851 8.484 -9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.460 8.761 -10.376 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.178 9.924 -8.873 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.460 8.465 -7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.072 9.974 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.355 8.512 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 111 3.082 8.962 -3.800 1.00 0.00 H new ATOM 1765 N LYS A 112 0.204 10.291 -12.370 1.00 0.00 N ATOM 1766 CA LYS A 112 0.117 10.299 -13.822 1.00 0.00 C ATOM 1767 C LYS A 112 0.194 11.723 -14.359 1.00 0.00 C ATOM 1768 O LYS A 112 0.829 11.980 -15.382 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.183 9.637 -14.281 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.258 8.154 -13.964 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.495 7.513 -14.573 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.537 7.193 -13.514 1.00 0.00 C ATOM 1773 NZ LYS A 112 -4.234 5.908 -13.791 1.00 0.00 N ATOM 0 H LYS A 112 -0.667 10.046 -11.899 1.00 0.00 H new ATOM 0 HA LYS A 112 0.961 9.733 -14.216 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.025 10.143 -13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.291 9.775 -15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.366 7.655 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.269 8.013 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.925 8.184 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.213 6.599 -15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.057 7.142 -12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.268 8.000 -13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.936 5.726 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.713 5.965 -14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.540 5.134 -13.809 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.459 12.649 -13.660 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.465 14.050 -14.066 1.00 0.00 C ATOM 1789 C ASP A 113 0.954 14.608 -14.120 1.00 0.00 C ATOM 1790 O ASP A 113 1.283 15.408 -14.996 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.315 14.878 -13.100 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.786 14.517 -13.168 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -3.196 13.882 -14.162 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.528 14.871 -12.228 1.00 0.00 O ATOM 0 H ASP A 113 -0.990 12.453 -12.811 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.898 14.111 -15.065 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.954 14.728 -12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.193 15.937 -13.329 1.00 0.00 H new ATOM 1799 N ALA A 114 1.788 14.181 -13.179 1.00 0.00 N ATOM 1800 CA ALA A 114 3.172 14.638 -13.120 1.00 0.00 C ATOM 1801 C ALA A 114 3.931 14.258 -14.387 1.00 0.00 C ATOM 1802 O ALA A 114 4.825 14.980 -14.827 1.00 0.00 O ATOM 1803 CB ALA A 114 3.866 14.065 -11.895 1.00 0.00 C ATOM 0 H ALA A 114 1.531 13.519 -12.447 1.00 0.00 H new ATOM 0 HA ALA A 114 3.166 15.725 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.898 14.415 -11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.345 14.392 -10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.853 12.976 -11.946 1.00 0.00 H new ATOM 1809 N ASP A 115 3.568 13.118 -14.968 1.00 0.00 N ATOM 1810 CA ASP A 115 4.215 12.643 -16.185 1.00 0.00 C ATOM 1811 C ASP A 115 3.385 12.992 -17.415 1.00 0.00 C ATOM 1812 O ASP A 115 3.903 13.715 -18.292 1.00 0.00 O ATOM 1813 CB ASP A 115 4.430 11.129 -16.113 1.00 0.00 C ATOM 1814 CG ASP A 115 5.414 10.734 -15.028 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.157 11.616 -14.550 1.00 0.00 O ATOM 1816 OD2 ASP A 115 5.441 9.541 -14.658 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.224 12.538 -17.493 1.00 0.00 O ATOM 0 H ASP A 115 2.831 12.508 -14.616 1.00 0.00 H new ATOM 0 HA ASP A 115 5.182 13.138 -16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.475 10.638 -15.929 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.793 10.770 -17.076 1.00 0.00 H new