USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 SER OG : rot -46:sc= 1.03 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.055 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.31 (180deg=-1.17) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -91:sc= 0.937 USER MOD Single : A 50 MET CE :methyl -99:sc= -0.717 (180deg=-2.74!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.63) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 100:sc= 1.3 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 3.181 -11.084 -8.506 1.00 1.00 N ATOM 2 CA GLY A 39 3.339 -10.028 -9.489 1.00 1.00 C ATOM 3 C GLY A 39 2.155 -9.930 -10.430 1.00 1.00 C ATOM 4 O GLY A 39 1.473 -10.922 -10.686 1.00 1.00 O ATOM 0 HA2 GLY A 39 3.471 -9.075 -8.976 1.00 1.00 H new ATOM 0 HA3 GLY A 39 4.245 -10.207 -10.068 1.00 1.00 H new ATOM 8 N SER A 40 1.909 -8.729 -10.945 1.00 1.00 N ATOM 9 CA SER A 40 0.796 -8.504 -11.860 1.00 1.00 C ATOM 10 C SER A 40 -0.509 -9.028 -11.267 1.00 1.00 C ATOM 11 O SER A 40 -1.386 -9.503 -11.990 1.00 1.00 O ATOM 12 CB SER A 40 1.067 -9.183 -13.204 1.00 1.00 C ATOM 13 OG SER A 40 0.680 -10.546 -13.174 1.00 1.00 O ATOM 0 H SER A 40 2.465 -7.898 -10.744 1.00 1.00 H new ATOM 0 HA SER A 40 0.699 -7.430 -12.017 1.00 1.00 H new ATOM 0 HB2 SER A 40 0.523 -8.664 -13.993 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.127 -9.108 -13.446 1.00 1.00 H new ATOM 0 HG SER A 40 1.016 -10.964 -12.354 1.00 1.00 H new ATOM 19 N CYS A 41 -0.630 -8.938 -9.947 1.00 1.00 N ATOM 20 CA CYS A 41 -1.827 -9.402 -9.256 1.00 1.00 C ATOM 21 C CYS A 41 -2.953 -8.380 -9.371 1.00 1.00 C ATOM 22 O CYS A 41 -4.123 -8.741 -9.500 1.00 1.00 O ATOM 23 CB CYS A 41 -1.517 -9.674 -7.783 1.00 1.00 C ATOM 24 SG CYS A 41 -2.910 -10.349 -6.848 1.00 1.00 S ATOM 0 H CYS A 41 0.086 -8.548 -9.334 1.00 1.00 H new ATOM 0 HA CYS A 41 -2.153 -10.328 -9.729 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -0.680 -10.370 -7.721 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -1.194 -8.745 -7.313 1.00 1.00 H new ATOM 0 HG CYS A 41 -2.550 -10.547 -5.615 1.00 1.00 H new ATOM 30 N LYS A 42 -2.592 -7.102 -9.323 1.00 1.00 N ATOM 31 CA LYS A 42 -3.571 -6.026 -9.422 1.00 1.00 C ATOM 32 C LYS A 42 -3.163 -5.015 -10.488 1.00 1.00 C ATOM 33 O LYS A 42 -2.247 -4.218 -10.281 1.00 1.00 O ATOM 34 CB LYS A 42 -3.726 -5.325 -8.070 1.00 1.00 C ATOM 35 CG LYS A 42 -4.620 -6.072 -7.096 1.00 1.00 C ATOM 36 CD LYS A 42 -3.825 -7.049 -6.246 1.00 1.00 C ATOM 37 CE LYS A 42 -3.291 -6.385 -4.986 1.00 1.00 C ATOM 38 NZ LYS A 42 -2.009 -5.669 -5.237 1.00 1.00 N ATOM 0 H LYS A 42 -1.628 -6.786 -9.216 1.00 1.00 H new ATOM 0 HA LYS A 42 -4.527 -6.463 -9.710 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -2.741 -5.198 -7.621 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -4.134 -4.327 -8.232 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -5.131 -5.359 -6.450 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -5.390 -6.611 -7.648 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -4.457 -7.894 -5.973 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -2.994 -7.448 -6.829 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -4.031 -5.682 -4.605 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -3.141 -7.139 -4.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -1.463 -5.615 -4.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -1.459 -6.184 -5.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -2.210 -4.708 -5.579 1.00 1.00 H new ATOM 52 N ILE A 43 -3.848 -5.052 -11.626 1.00 1.00 N ATOM 53 CA ILE A 43 -3.556 -4.137 -12.722 1.00 1.00 C ATOM 54 C ILE A 43 -4.223 -2.784 -12.502 1.00 1.00 C ATOM 55 O ILE A 43 -5.398 -2.694 -12.145 1.00 1.00 O ATOM 56 CB ILE A 43 -4.021 -4.712 -14.073 1.00 1.00 C ATOM 57 CG1 ILE A 43 -3.365 -6.071 -14.327 1.00 1.00 C ATOM 58 CG2 ILE A 43 -3.698 -3.743 -15.201 1.00 1.00 C ATOM 59 CD1 ILE A 43 -4.143 -7.234 -13.752 1.00 1.00 C ATOM 0 H ILE A 43 -4.609 -5.705 -11.813 1.00 1.00 H new ATOM 0 HA ILE A 43 -2.474 -4.006 -12.744 1.00 1.00 H new ATOM 0 HB ILE A 43 -5.101 -4.852 -14.039 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -3.252 -6.216 -15.401 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -2.363 -6.067 -13.899 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -4.033 -4.164 -16.149 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -4.208 -2.796 -15.024 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -2.622 -3.574 -15.239 1.00 1.00 H new ATOM 0 HD11 ILE A 43 -3.620 -8.165 -13.970 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -4.234 -7.113 -12.673 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -5.137 -7.263 -14.199 1.00 1.00 H new ATOM 71 N PRO A 44 -3.458 -1.704 -12.720 1.00 1.00 N ATOM 72 CA PRO A 44 -3.954 -0.335 -12.554 1.00 1.00 C ATOM 73 C PRO A 44 -4.970 0.047 -13.624 1.00 1.00 C ATOM 74 O PRO A 44 -5.445 -0.804 -14.375 1.00 1.00 O ATOM 75 CB PRO A 44 -2.690 0.519 -12.686 1.00 1.00 C ATOM 76 CG PRO A 44 -1.760 -0.306 -13.507 1.00 1.00 C ATOM 77 CD PRO A 44 -2.049 -1.737 -13.148 1.00 1.00 C ATOM 0 HA PRO A 44 -4.477 -0.203 -11.607 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -2.905 1.472 -13.169 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.261 0.746 -11.710 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -1.919 -0.131 -14.571 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -0.722 -0.052 -13.294 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.903 -2.402 -13.999 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.395 -2.091 -12.351 1.00 1.00 H new ATOM 85 N SER A 45 -5.299 1.334 -13.689 1.00 1.00 N ATOM 86 CA SER A 45 -6.260 1.829 -14.668 1.00 1.00 C ATOM 87 C SER A 45 -5.573 2.710 -15.706 1.00 1.00 C ATOM 88 O SER A 45 -5.944 2.709 -16.880 1.00 1.00 O ATOM 89 CB SER A 45 -7.371 2.615 -13.969 1.00 1.00 C ATOM 90 OG SER A 45 -8.366 3.021 -14.893 1.00 1.00 O ATOM 0 H SER A 45 -4.914 2.052 -13.075 1.00 1.00 H new ATOM 0 HA SER A 45 -6.697 0.971 -15.179 1.00 1.00 H new ATOM 0 HB2 SER A 45 -7.822 1.999 -13.191 1.00 1.00 H new ATOM 0 HB3 SER A 45 -6.947 3.491 -13.477 1.00 1.00 H new ATOM 0 HG SER A 45 -9.066 3.520 -14.422 1.00 1.00 H new ATOM 96 N ILE A 46 -4.570 3.462 -15.265 1.00 1.00 N ATOM 97 CA ILE A 46 -3.830 4.347 -16.156 1.00 1.00 C ATOM 98 C ILE A 46 -2.993 3.551 -17.150 1.00 1.00 C ATOM 99 O ILE A 46 -2.483 4.099 -18.127 1.00 1.00 O ATOM 100 CB ILE A 46 -2.908 5.296 -15.368 1.00 1.00 C ATOM 101 CG1 ILE A 46 -3.724 6.136 -14.384 1.00 1.00 C ATOM 102 CG2 ILE A 46 -2.131 6.192 -16.321 1.00 1.00 C ATOM 103 CD1 ILE A 46 -4.818 6.946 -15.044 1.00 1.00 C ATOM 0 H ILE A 46 -4.251 3.476 -14.296 1.00 1.00 H new ATOM 0 HA ILE A 46 -4.568 4.938 -16.698 1.00 1.00 H new ATOM 0 HB ILE A 46 -2.195 4.698 -14.801 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -4.170 5.477 -13.639 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.054 6.811 -13.852 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -1.484 6.857 -15.749 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.523 5.577 -16.985 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -2.828 6.785 -16.913 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -5.355 7.517 -14.287 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -4.377 7.630 -15.769 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -5.511 6.276 -15.553 1.00 1.00 H new ATOM 115 N ALA A 47 -2.855 2.254 -16.896 1.00 1.00 N ATOM 116 CA ALA A 47 -2.083 1.381 -17.771 1.00 1.00 C ATOM 117 C ALA A 47 -2.998 0.576 -18.688 1.00 1.00 C ATOM 118 O ALA A 47 -2.541 -0.047 -19.647 1.00 1.00 O ATOM 119 CB ALA A 47 -1.206 0.450 -16.948 1.00 1.00 C ATOM 0 H ALA A 47 -3.268 1.784 -16.090 1.00 1.00 H new ATOM 0 HA ALA A 47 -1.444 2.006 -18.395 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -0.635 -0.196 -17.615 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -0.520 1.040 -16.339 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -1.833 -0.162 -16.299 1.00 1.00 H new ATOM 125 N THR A 48 -4.293 0.591 -18.388 1.00 1.00 N ATOM 126 CA THR A 48 -5.271 -0.138 -19.185 1.00 1.00 C ATOM 127 C THR A 48 -5.320 0.391 -20.614 1.00 1.00 C ATOM 128 O THR A 48 -5.137 -0.360 -21.571 1.00 1.00 O ATOM 129 CB THR A 48 -6.679 -0.046 -18.567 1.00 1.00 C ATOM 130 OG1 THR A 48 -7.114 1.318 -18.537 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.690 -0.618 -17.157 1.00 1.00 C ATOM 0 H THR A 48 -4.689 1.101 -17.598 1.00 1.00 H new ATOM 0 HA THR A 48 -4.955 -1.181 -19.197 1.00 1.00 H new ATOM 0 HB THR A 48 -7.361 -0.630 -19.185 1.00 1.00 H new ATOM 0 HG1 THR A 48 -6.848 1.728 -17.687 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.695 -0.542 -16.741 1.00 1.00 H new ATOM 0 HG22 THR A 48 -6.388 -1.665 -17.187 1.00 1.00 H new ATOM 0 HG23 THR A 48 -5.995 -0.057 -16.532 1.00 1.00 H new ATOM 139 N GLY A 49 -5.569 1.690 -20.751 1.00 1.00 N ATOM 140 CA GLY A 49 -5.636 2.297 -22.068 1.00 1.00 C ATOM 141 C GLY A 49 -4.451 1.928 -22.938 1.00 1.00 C ATOM 142 O GLY A 49 -4.609 1.639 -24.123 1.00 1.00 O ATOM 0 H GLY A 49 -5.725 2.332 -19.974 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -6.556 1.985 -22.562 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -5.682 3.381 -21.963 1.00 1.00 H new ATOM 146 N MET A 50 -3.260 1.939 -22.348 1.00 1.00 N ATOM 147 CA MET A 50 -2.043 1.602 -23.078 1.00 1.00 C ATOM 148 C MET A 50 -2.095 0.165 -23.587 1.00 1.00 C ATOM 149 O MET A 50 -1.780 -0.106 -24.745 1.00 1.00 O ATOM 150 CB MET A 50 -0.817 1.795 -22.184 1.00 1.00 C ATOM 151 CG MET A 50 -0.471 3.254 -21.934 1.00 1.00 C ATOM 152 SD MET A 50 0.341 4.027 -23.346 1.00 1.00 S ATOM 153 CE MET A 50 -1.068 4.710 -24.215 1.00 1.00 C ATOM 0 H MET A 50 -3.112 2.177 -21.367 1.00 1.00 H new ATOM 0 HA MET A 50 -1.967 2.270 -23.936 1.00 1.00 H new ATOM 0 HB2 MET A 50 -0.994 1.303 -21.228 1.00 1.00 H new ATOM 0 HB3 MET A 50 0.039 1.301 -22.643 1.00 1.00 H new ATOM 0 HG2 MET A 50 -1.382 3.804 -21.698 1.00 1.00 H new ATOM 0 HG3 MET A 50 0.179 3.325 -21.062 1.00 1.00 H new ATOM 0 HE1 MET A 50 -1.350 4.044 -25.031 1.00 1.00 H new ATOM 0 HE2 MET A 50 -1.906 4.814 -23.525 1.00 1.00 H new ATOM 0 HE3 MET A 50 -0.807 5.688 -24.619 1.00 1.00 H new ATOM 163 N VAL A 51 -2.495 -0.754 -22.713 1.00 1.00 N ATOM 164 CA VAL A 51 -2.589 -2.163 -23.074 1.00 1.00 C ATOM 165 C VAL A 51 -3.504 -2.362 -24.277 1.00 1.00 C ATOM 166 O VAL A 51 -3.090 -2.902 -25.302 1.00 1.00 O ATOM 167 CB VAL A 51 -3.113 -3.010 -21.899 1.00 1.00 C ATOM 168 CG1 VAL A 51 -3.063 -4.490 -22.243 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.315 -2.720 -20.637 1.00 1.00 C ATOM 0 H VAL A 51 -2.759 -0.547 -21.750 1.00 1.00 H new ATOM 0 HA VAL A 51 -1.582 -2.492 -23.329 1.00 1.00 H new ATOM 0 HB VAL A 51 -4.153 -2.740 -21.714 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -3.437 -5.072 -21.401 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -3.682 -4.681 -23.120 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -2.034 -4.780 -22.456 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.698 -3.327 -19.817 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.266 -2.961 -20.807 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.408 -1.664 -20.382 1.00 1.00 H new ATOM 179 N GLY A 52 -4.751 -1.921 -24.145 1.00 1.00 N ATOM 180 CA GLY A 52 -5.706 -2.059 -25.229 1.00 1.00 C ATOM 181 C GLY A 52 -5.160 -1.552 -26.550 1.00 1.00 C ATOM 182 O GLY A 52 -5.336 -2.190 -27.587 1.00 1.00 O ATOM 0 H GLY A 52 -5.117 -1.470 -23.306 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.984 -3.108 -25.333 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.615 -1.511 -24.981 1.00 1.00 H new ATOM 186 N ALA A 53 -4.497 -0.401 -26.512 1.00 1.00 N ATOM 187 CA ALA A 53 -3.923 0.190 -27.714 1.00 1.00 C ATOM 188 C ALA A 53 -2.705 -0.598 -28.185 1.00 1.00 C ATOM 189 O ALA A 53 -2.454 -0.713 -29.386 1.00 1.00 O ATOM 190 CB ALA A 53 -3.549 1.643 -27.461 1.00 1.00 C ATOM 0 H ALA A 53 -4.344 0.141 -25.661 1.00 1.00 H new ATOM 0 HA ALA A 53 -4.675 0.152 -28.502 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.121 2.072 -28.367 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.440 2.204 -27.179 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.817 1.695 -26.655 1.00 1.00 H new ATOM 196 N LEU A 54 -1.952 -1.138 -27.234 1.00 1.00 N ATOM 197 CA LEU A 54 -0.759 -1.915 -27.552 1.00 1.00 C ATOM 198 C LEU A 54 -1.107 -3.114 -28.427 1.00 1.00 C ATOM 199 O LEU A 54 -0.467 -3.356 -29.452 1.00 1.00 O ATOM 200 CB LEU A 54 -0.077 -2.388 -26.267 1.00 1.00 C ATOM 201 CG LEU A 54 0.977 -1.447 -25.680 1.00 1.00 C ATOM 202 CD1 LEU A 54 1.444 -1.949 -24.323 1.00 1.00 C ATOM 203 CD2 LEU A 54 2.155 -1.306 -26.633 1.00 1.00 C ATOM 0 H LEU A 54 -2.146 -1.052 -26.236 1.00 1.00 H new ATOM 0 HA LEU A 54 -0.074 -1.272 -28.105 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -0.845 -2.556 -25.512 1.00 1.00 H new ATOM 0 HB3 LEU A 54 0.394 -3.351 -26.463 1.00 1.00 H new ATOM 0 HG LEU A 54 0.525 -0.464 -25.545 1.00 1.00 H new ATOM 0 HD11 LEU A 54 2.193 -1.267 -23.921 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.595 -1.998 -23.641 1.00 1.00 H new ATOM 0 HD13 LEU A 54 1.879 -2.942 -24.433 1.00 1.00 H new ATOM 0 HD21 LEU A 54 2.895 -0.633 -26.200 1.00 1.00 H new ATOM 0 HD22 LEU A 54 2.607 -2.284 -26.800 1.00 1.00 H new ATOM 0 HD23 LEU A 54 1.808 -0.900 -27.583 1.00 1.00 H new ATOM 215 N LEU A 55 -2.127 -3.861 -28.019 1.00 1.00 N ATOM 216 CA LEU A 55 -2.562 -5.036 -28.767 1.00 1.00 C ATOM 217 C LEU A 55 -3.175 -4.633 -30.105 1.00 1.00 C ATOM 218 O LEU A 55 -2.830 -5.186 -31.150 1.00 1.00 O ATOM 219 CB LEU A 55 -3.577 -5.838 -27.950 1.00 1.00 C ATOM 220 CG LEU A 55 -3.302 -5.935 -26.449 1.00 1.00 C ATOM 221 CD1 LEU A 55 -4.188 -6.995 -25.812 1.00 1.00 C ATOM 222 CD2 LEU A 55 -1.834 -6.242 -26.194 1.00 1.00 C ATOM 0 H LEU A 55 -2.668 -3.674 -27.175 1.00 1.00 H new ATOM 0 HA LEU A 55 -1.688 -5.657 -28.960 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -4.561 -5.391 -28.091 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -3.624 -6.848 -28.357 1.00 1.00 H new ATOM 0 HG LEU A 55 -3.536 -4.973 -25.993 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -3.979 -7.050 -24.744 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -5.235 -6.733 -25.963 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -3.986 -7.962 -26.272 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -1.657 -6.307 -25.120 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -1.574 -7.191 -26.663 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -1.218 -5.448 -26.616 1.00 1.00 H new ATOM 234 N LEU A 56 -4.083 -3.664 -30.066 1.00 1.00 N ATOM 235 CA LEU A 56 -4.743 -3.184 -31.275 1.00 1.00 C ATOM 236 C LEU A 56 -3.720 -2.841 -32.353 1.00 1.00 C ATOM 237 O LEU A 56 -3.742 -3.406 -33.448 1.00 1.00 O ATOM 238 CB LEU A 56 -5.600 -1.957 -30.960 1.00 1.00 C ATOM 239 CG LEU A 56 -6.849 -1.772 -31.823 1.00 1.00 C ATOM 240 CD1 LEU A 56 -8.007 -2.585 -31.267 1.00 1.00 C ATOM 241 CD2 LEU A 56 -7.222 -0.299 -31.910 1.00 1.00 C ATOM 0 H LEU A 56 -4.379 -3.195 -29.210 1.00 1.00 H new ATOM 0 HA LEU A 56 -5.386 -3.981 -31.649 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -5.909 -2.012 -29.916 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -4.978 -1.068 -31.061 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.630 -2.131 -32.828 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -8.887 -2.441 -31.894 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -7.738 -3.641 -31.256 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -8.228 -2.257 -30.251 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -8.113 -0.185 -32.528 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -7.422 0.085 -30.910 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -6.398 0.259 -32.355 1.00 1.00 H new ATOM 253 N LEU A 57 -2.823 -1.914 -32.037 1.00 1.00 N ATOM 254 CA LEU A 57 -1.789 -1.496 -32.977 1.00 1.00 C ATOM 255 C LEU A 57 -0.984 -2.695 -33.468 1.00 1.00 C ATOM 256 O LEU A 57 -0.701 -2.821 -34.660 1.00 1.00 O ATOM 257 CB LEU A 57 -0.857 -0.476 -32.321 1.00 1.00 C ATOM 258 CG LEU A 57 -1.487 0.866 -31.949 1.00 1.00 C ATOM 259 CD1 LEU A 57 -0.437 1.813 -31.390 1.00 1.00 C ATOM 260 CD2 LEU A 57 -2.177 1.485 -33.156 1.00 1.00 C ATOM 0 H LEU A 57 -2.791 -1.437 -31.136 1.00 1.00 H new ATOM 0 HA LEU A 57 -2.278 -1.033 -33.834 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -0.441 -0.922 -31.418 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -0.023 -0.288 -32.997 1.00 1.00 H new ATOM 0 HG LEU A 57 -2.236 0.691 -31.177 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -0.905 2.763 -31.131 1.00 1.00 H new ATOM 0 HD12 LEU A 57 0.011 1.374 -30.498 1.00 1.00 H new ATOM 0 HD13 LEU A 57 0.336 1.982 -32.139 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -2.620 2.440 -32.872 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -1.447 1.645 -33.950 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -2.959 0.814 -33.512 1.00 1.00 H new ATOM 272 N LEU A 58 -0.619 -3.575 -32.542 1.00 1.00 N ATOM 273 CA LEU A 58 0.152 -4.767 -32.881 1.00 1.00 C ATOM 274 C LEU A 58 -0.545 -5.575 -33.970 1.00 1.00 C ATOM 275 O LEU A 58 0.064 -5.935 -34.977 1.00 1.00 O ATOM 276 CB LEU A 58 0.359 -5.635 -31.638 1.00 1.00 C ATOM 277 CG LEU A 58 1.615 -5.343 -30.817 1.00 1.00 C ATOM 278 CD1 LEU A 58 1.522 -5.998 -29.447 1.00 1.00 C ATOM 279 CD2 LEU A 58 2.857 -5.820 -31.554 1.00 1.00 C ATOM 0 H LEU A 58 -0.844 -3.486 -31.551 1.00 1.00 H new ATOM 0 HA LEU A 58 1.123 -4.447 -33.258 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -0.510 -5.519 -30.990 1.00 1.00 H new ATOM 0 HB3 LEU A 58 0.387 -6.679 -31.949 1.00 1.00 H new ATOM 0 HG LEU A 58 1.691 -4.265 -30.677 1.00 1.00 H new ATOM 0 HD11 LEU A 58 2.425 -5.779 -28.877 1.00 1.00 H new ATOM 0 HD12 LEU A 58 0.654 -5.608 -28.915 1.00 1.00 H new ATOM 0 HD13 LEU A 58 1.420 -7.077 -29.566 1.00 1.00 H new ATOM 0 HD21 LEU A 58 3.741 -5.604 -30.955 1.00 1.00 H new ATOM 0 HD22 LEU A 58 2.788 -6.894 -31.725 1.00 1.00 H new ATOM 0 HD23 LEU A 58 2.933 -5.304 -32.511 1.00 1.00 H new ATOM 291 N VAL A 59 -1.827 -5.857 -33.761 1.00 1.00 N ATOM 292 CA VAL A 59 -2.608 -6.622 -34.726 1.00 1.00 C ATOM 293 C VAL A 59 -2.785 -5.848 -36.028 1.00 1.00 C ATOM 294 O VAL A 59 -2.582 -6.387 -37.116 1.00 1.00 O ATOM 295 CB VAL A 59 -3.996 -6.983 -34.164 1.00 1.00 C ATOM 296 CG1 VAL A 59 -4.715 -7.948 -35.095 1.00 1.00 C ATOM 297 CG2 VAL A 59 -3.869 -7.572 -32.767 1.00 1.00 C ATOM 0 H VAL A 59 -2.347 -5.567 -32.932 1.00 1.00 H new ATOM 0 HA VAL A 59 -2.054 -7.540 -34.925 1.00 1.00 H new ATOM 0 HB VAL A 59 -4.589 -6.071 -34.096 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -5.694 -8.192 -34.681 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -4.840 -7.485 -36.074 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -4.127 -8.860 -35.198 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -4.859 -7.821 -32.386 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -3.258 -8.474 -32.807 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -3.399 -6.844 -32.106 1.00 1.00 H new ATOM 307 N VAL A 60 -3.163 -4.579 -35.909 1.00 1.00 N ATOM 308 CA VAL A 60 -3.364 -3.729 -37.076 1.00 1.00 C ATOM 309 C VAL A 60 -2.125 -3.714 -37.964 1.00 1.00 C ATOM 310 O VAL A 60 -2.193 -4.045 -39.147 1.00 1.00 O ATOM 311 CB VAL A 60 -3.705 -2.284 -36.665 1.00 1.00 C ATOM 312 CG1 VAL A 60 -3.862 -1.402 -37.895 1.00 1.00 C ATOM 313 CG2 VAL A 60 -4.966 -2.256 -35.814 1.00 1.00 C ATOM 0 H VAL A 60 -3.336 -4.117 -35.016 1.00 1.00 H new ATOM 0 HA VAL A 60 -4.202 -4.148 -37.633 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.882 -1.890 -36.068 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.103 -0.385 -37.585 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -2.931 -1.398 -38.461 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -4.665 -1.790 -38.521 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -5.192 -1.228 -35.533 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.799 -2.668 -36.384 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -4.812 -2.853 -34.915 1.00 1.00 H new ATOM 323 N ALA A 61 -0.993 -3.327 -37.385 1.00 1.00 N ATOM 324 CA ALA A 61 0.262 -3.270 -38.124 1.00 1.00 C ATOM 325 C ALA A 61 0.666 -4.651 -38.627 1.00 1.00 C ATOM 326 O ALA A 61 1.261 -4.784 -39.698 1.00 1.00 O ATOM 327 CB ALA A 61 1.362 -2.681 -37.252 1.00 1.00 C ATOM 0 H ALA A 61 -0.919 -3.048 -36.407 1.00 1.00 H new ATOM 0 HA ALA A 61 0.116 -2.625 -38.990 1.00 1.00 H new ATOM 0 HB1 ALA A 61 2.294 -2.644 -37.817 1.00 1.00 H new ATOM 0 HB2 ALA A 61 1.083 -1.673 -36.946 1.00 1.00 H new ATOM 0 HB3 ALA A 61 1.498 -3.304 -36.368 1.00 1.00 H new ATOM 333 N LEU A 62 0.340 -5.678 -37.849 1.00 1.00 N ATOM 334 CA LEU A 62 0.669 -7.051 -38.217 1.00 1.00 C ATOM 335 C LEU A 62 -0.079 -7.471 -39.478 1.00 1.00 C ATOM 336 O LEU A 62 0.532 -7.809 -40.491 1.00 1.00 O ATOM 337 CB LEU A 62 0.329 -8.002 -37.068 1.00 1.00 C ATOM 338 CG LEU A 62 1.446 -8.255 -36.054 1.00 1.00 C ATOM 339 CD1 LEU A 62 0.879 -8.850 -34.774 1.00 1.00 C ATOM 340 CD2 LEU A 62 2.506 -9.172 -36.647 1.00 1.00 C ATOM 0 H LEU A 62 -0.152 -5.586 -36.960 1.00 1.00 H new ATOM 0 HA LEU A 62 1.739 -7.101 -38.418 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -0.534 -7.603 -36.536 1.00 1.00 H new ATOM 0 HB3 LEU A 62 0.027 -8.959 -37.492 1.00 1.00 H new ATOM 0 HG LEU A 62 1.914 -7.301 -35.811 1.00 1.00 H new ATOM 0 HD11 LEU A 62 1.688 -9.023 -34.064 1.00 1.00 H new ATOM 0 HD12 LEU A 62 0.157 -8.158 -34.340 1.00 1.00 H new ATOM 0 HD13 LEU A 62 0.385 -9.795 -35.000 1.00 1.00 H new ATOM 0 HD21 LEU A 62 3.293 -9.341 -35.912 1.00 1.00 H new ATOM 0 HD22 LEU A 62 2.052 -10.125 -36.919 1.00 1.00 H new ATOM 0 HD23 LEU A 62 2.933 -8.707 -37.536 1.00 1.00 H new ATOM 352 N GLY A 63 -1.407 -7.445 -39.409 1.00 1.00 N ATOM 353 CA GLY A 63 -2.216 -7.822 -40.553 1.00 1.00 C ATOM 354 C GLY A 63 -1.830 -7.070 -41.810 1.00 1.00 C ATOM 355 O GLY A 63 -1.661 -7.669 -42.873 1.00 1.00 O ATOM 0 H GLY A 63 -1.936 -7.170 -38.582 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.114 -8.893 -40.729 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -3.266 -7.634 -40.329 1.00 1.00 H new ATOM 359 N ILE A 64 -1.692 -5.754 -41.691 1.00 1.00 N ATOM 360 CA ILE A 64 -1.327 -4.918 -42.829 1.00 1.00 C ATOM 361 C ILE A 64 0.092 -5.220 -43.299 1.00 1.00 C ATOM 362 O ILE A 64 0.359 -5.288 -44.498 1.00 1.00 O ATOM 363 CB ILE A 64 -1.435 -3.421 -42.486 1.00 1.00 C ATOM 364 CG1 ILE A 64 -2.859 -3.078 -42.044 1.00 1.00 C ATOM 365 CG2 ILE A 64 -1.026 -2.573 -43.681 1.00 1.00 C ATOM 366 CD1 ILE A 64 -2.998 -1.680 -41.484 1.00 1.00 C ATOM 0 H ILE A 64 -1.827 -5.243 -40.818 1.00 1.00 H new ATOM 0 HA ILE A 64 -2.030 -5.150 -43.629 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.757 -3.202 -41.661 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.531 -3.188 -42.895 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.179 -3.796 -41.289 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.108 -1.517 -43.423 1.00 1.00 H new ATOM 0 HG22 ILE A 64 0.004 -2.801 -43.954 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -1.681 -2.792 -44.524 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -4.034 -1.507 -41.191 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -2.352 -1.571 -40.613 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.709 -0.953 -42.243 1.00 1.00 H new ATOM 378 N GLY A 65 1.000 -5.401 -42.344 1.00 1.00 N ATOM 379 CA GLY A 65 2.381 -5.695 -42.680 1.00 1.00 C ATOM 380 C GLY A 65 2.531 -7.011 -43.419 1.00 1.00 C ATOM 381 O GLY A 65 3.200 -7.079 -44.451 1.00 1.00 O ATOM 0 H GLY A 65 0.804 -5.349 -41.344 1.00 1.00 H new ATOM 0 HA2 GLY A 65 2.782 -4.889 -43.295 1.00 1.00 H new ATOM 0 HA3 GLY A 65 2.975 -5.725 -41.767 1.00 1.00 H new ATOM 385 N LEU A 66 1.909 -8.058 -42.889 1.00 1.00 N ATOM 386 CA LEU A 66 1.977 -9.379 -43.505 1.00 1.00 C ATOM 387 C LEU A 66 1.304 -9.377 -44.874 1.00 1.00 C ATOM 388 O LEU A 66 1.705 -10.115 -45.775 1.00 1.00 O ATOM 389 CB LEU A 66 1.315 -10.420 -42.600 1.00 1.00 C ATOM 390 CG LEU A 66 2.154 -10.916 -41.422 1.00 1.00 C ATOM 391 CD1 LEU A 66 1.256 -11.416 -40.300 1.00 1.00 C ATOM 392 CD2 LEU A 66 3.108 -12.013 -41.872 1.00 1.00 C ATOM 0 H LEU A 66 1.352 -8.018 -42.035 1.00 1.00 H new ATOM 0 HA LEU A 66 3.028 -9.637 -43.638 1.00 1.00 H new ATOM 0 HB2 LEU A 66 0.390 -9.996 -42.209 1.00 1.00 H new ATOM 0 HB3 LEU A 66 1.038 -11.280 -43.211 1.00 1.00 H new ATOM 0 HG LEU A 66 2.744 -10.081 -41.043 1.00 1.00 H new ATOM 0 HD11 LEU A 66 1.871 -11.765 -39.470 1.00 1.00 H new ATOM 0 HD12 LEU A 66 0.613 -10.604 -39.959 1.00 1.00 H new ATOM 0 HD13 LEU A 66 0.640 -12.237 -40.666 1.00 1.00 H new ATOM 0 HD21 LEU A 66 3.697 -12.354 -41.021 1.00 1.00 H new ATOM 0 HD22 LEU A 66 2.537 -12.849 -42.276 1.00 1.00 H new ATOM 0 HD23 LEU A 66 3.774 -11.623 -42.641 1.00 1.00 H new ATOM 404 N PHE A 67 0.282 -8.542 -45.024 1.00 1.00 N ATOM 405 CA PHE A 67 -0.445 -8.443 -46.284 1.00 1.00 C ATOM 406 C PHE A 67 0.372 -7.683 -47.325 1.00 1.00 C ATOM 407 O PHE A 67 0.487 -8.112 -48.473 1.00 1.00 O ATOM 408 CB PHE A 67 -1.790 -7.746 -46.067 1.00 1.00 C ATOM 409 CG PHE A 67 -2.832 -8.124 -47.081 1.00 1.00 C ATOM 410 CD1 PHE A 67 -3.359 -9.405 -47.107 1.00 1.00 C ATOM 411 CD2 PHE A 67 -3.283 -7.199 -48.008 1.00 1.00 C ATOM 412 CE1 PHE A 67 -4.317 -9.756 -48.039 1.00 1.00 C ATOM 413 CE2 PHE A 67 -4.242 -7.544 -48.943 1.00 1.00 C ATOM 414 CZ PHE A 67 -4.760 -8.824 -48.958 1.00 1.00 C ATOM 0 H PHE A 67 -0.062 -7.924 -44.289 1.00 1.00 H new ATOM 0 HA PHE A 67 -0.622 -9.453 -46.653 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -2.159 -7.989 -45.071 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.640 -6.667 -46.097 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -3.017 -10.138 -46.391 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.881 -6.197 -48.001 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -4.719 -10.758 -48.049 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.585 -6.813 -49.660 1.00 1.00 H new ATOM 0 HZ PHE A 67 -5.510 -9.096 -49.686 1.00 1.00 H new ATOM 424 N MET A 68 0.937 -6.552 -46.914 1.00 1.00 N ATOM 425 CA MET A 68 1.744 -5.733 -47.811 1.00 1.00 C ATOM 426 C MET A 68 3.094 -6.389 -48.082 1.00 1.00 C ATOM 427 O MET A 68 3.743 -6.102 -49.088 1.00 1.00 O ATOM 428 CB MET A 68 1.952 -4.339 -47.214 1.00 1.00 C ATOM 429 CG MET A 68 0.656 -3.635 -46.848 1.00 1.00 C ATOM 430 SD MET A 68 -0.033 -2.690 -48.221 1.00 1.00 S ATOM 431 CE MET A 68 -1.787 -2.923 -47.946 1.00 1.00 C ATOM 0 H MET A 68 0.851 -6.182 -45.967 1.00 1.00 H new ATOM 0 HA MET A 68 1.210 -5.640 -48.757 1.00 1.00 H new ATOM 0 HB2 MET A 68 2.574 -4.424 -46.323 1.00 1.00 H new ATOM 0 HB3 MET A 68 2.500 -3.725 -47.928 1.00 1.00 H new ATOM 0 HG2 MET A 68 -0.074 -4.374 -46.518 1.00 1.00 H new ATOM 0 HG3 MET A 68 0.835 -2.967 -46.006 1.00 1.00 H new ATOM 0 HE1 MET A 68 -2.349 -2.396 -48.717 1.00 1.00 H new ATOM 0 HE2 MET A 68 -2.024 -3.986 -47.987 1.00 1.00 H new ATOM 0 HE3 MET A 68 -2.057 -2.528 -46.967 1.00 1.00 H new ATOM 441 N ARG A 69 3.509 -7.271 -47.179 1.00 1.00 N ATOM 442 CA ARG A 69 4.782 -7.968 -47.321 1.00 1.00 C ATOM 443 C ARG A 69 4.697 -9.041 -48.403 1.00 1.00 C ATOM 444 O ARG A 69 5.704 -9.643 -48.775 1.00 1.00 O ATOM 445 CB ARG A 69 5.192 -8.602 -45.991 1.00 1.00 C ATOM 446 CG ARG A 69 5.998 -7.673 -45.096 1.00 1.00 C ATOM 447 CD ARG A 69 6.128 -8.231 -43.688 1.00 1.00 C ATOM 448 NE ARG A 69 6.488 -7.197 -42.721 1.00 1.00 N ATOM 449 CZ ARG A 69 6.687 -7.436 -41.430 1.00 1.00 C ATOM 450 NH1 ARG A 69 6.562 -8.666 -40.952 1.00 1.00 N ATOM 451 NH2 ARG A 69 7.013 -6.442 -40.613 1.00 1.00 N ATOM 0 H ARG A 69 2.983 -7.520 -46.342 1.00 1.00 H new ATOM 0 HA ARG A 69 5.536 -7.238 -47.616 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.296 -8.919 -45.458 1.00 1.00 H new ATOM 0 HB3 ARG A 69 5.778 -9.499 -46.191 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.990 -7.525 -45.523 1.00 1.00 H new ATOM 0 HG3 ARG A 69 5.518 -6.695 -45.058 1.00 1.00 H new ATOM 0 HD2 ARG A 69 5.186 -8.692 -43.392 1.00 1.00 H new ATOM 0 HD3 ARG A 69 6.884 -9.016 -43.678 1.00 1.00 H new ATOM 0 HE ARG A 69 6.592 -6.239 -43.056 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.312 -9.433 -41.576 1.00 1.00 H new ATOM 0 HH12 ARG A 69 6.716 -8.846 -39.960 1.00 1.00 H new ATOM 0 HH21 ARG A 69 7.111 -5.494 -40.977 1.00 1.00 H new ATOM 0 HH22 ARG A 69 7.166 -6.626 -39.621 1.00 1.00 H new ATOM 465 N ARG A 70 3.488 -9.275 -48.903 1.00 1.00 N ATOM 466 CA ARG A 70 3.270 -10.278 -49.938 1.00 1.00 C ATOM 467 C ARG A 70 3.773 -9.781 -51.291 1.00 1.00 C ATOM 468 O ARG A 70 4.320 -10.550 -52.082 1.00 1.00 O ATOM 469 CB ARG A 70 1.785 -10.630 -50.033 1.00 1.00 C ATOM 470 CG ARG A 70 1.170 -11.038 -48.704 1.00 1.00 C ATOM 471 CD ARG A 70 -0.285 -11.449 -48.866 1.00 1.00 C ATOM 472 NE ARG A 70 -1.028 -10.514 -49.706 1.00 1.00 N ATOM 473 CZ ARG A 70 -2.169 -10.819 -50.315 1.00 1.00 C ATOM 474 NH1 ARG A 70 -2.695 -12.028 -50.177 1.00 1.00 N ATOM 475 NH2 ARG A 70 -2.786 -9.913 -51.063 1.00 1.00 N ATOM 0 H ARG A 70 2.644 -8.783 -48.608 1.00 1.00 H new ATOM 0 HA ARG A 70 3.831 -11.172 -49.666 1.00 1.00 H new ATOM 0 HB2 ARG A 70 1.241 -9.771 -50.427 1.00 1.00 H new ATOM 0 HB3 ARG A 70 1.658 -11.443 -50.748 1.00 1.00 H new ATOM 0 HG2 ARG A 70 1.738 -11.865 -48.278 1.00 1.00 H new ATOM 0 HG3 ARG A 70 1.239 -10.209 -48.000 1.00 1.00 H new ATOM 0 HD2 ARG A 70 -0.333 -12.446 -49.303 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.756 -11.508 -47.885 1.00 1.00 H new ATOM 0 HE ARG A 70 -0.650 -9.575 -49.832 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -2.224 -12.727 -49.602 1.00 1.00 H new ATOM 0 HH12 ARG A 70 -3.571 -12.260 -50.646 1.00 1.00 H new ATOM 0 HH21 ARG A 70 -2.384 -8.982 -51.171 1.00 1.00 H new ATOM 0 HH22 ARG A 70 -3.662 -10.148 -51.530 1.00 1.00 H new ATOM 489 N ARG A 71 3.584 -8.491 -51.549 1.00 1.00 N ATOM 490 CA ARG A 71 4.016 -7.892 -52.806 1.00 1.00 C ATOM 491 C ARG A 71 5.296 -7.084 -52.612 1.00 1.00 C ATOM 492 O ARG A 71 6.131 -6.998 -53.514 1.00 1.00 O ATOM 493 CB ARG A 71 2.914 -6.994 -53.372 1.00 1.00 C ATOM 494 CG ARG A 71 1.952 -7.720 -54.298 1.00 1.00 C ATOM 495 CD ARG A 71 2.604 -8.047 -55.633 1.00 1.00 C ATOM 496 NE ARG A 71 1.756 -8.902 -56.460 1.00 1.00 N ATOM 497 CZ ARG A 71 1.523 -10.183 -56.196 1.00 1.00 C ATOM 498 NH1 ARG A 71 2.070 -10.754 -55.132 1.00 1.00 N ATOM 499 NH2 ARG A 71 0.740 -10.895 -56.997 1.00 1.00 N ATOM 0 H ARG A 71 3.135 -7.841 -50.904 1.00 1.00 H new ATOM 0 HA ARG A 71 4.219 -8.697 -53.513 1.00 1.00 H new ATOM 0 HB2 ARG A 71 2.351 -6.559 -52.546 1.00 1.00 H new ATOM 0 HB3 ARG A 71 3.373 -6.168 -53.915 1.00 1.00 H new ATOM 0 HG2 ARG A 71 1.612 -8.640 -53.823 1.00 1.00 H new ATOM 0 HG3 ARG A 71 1.069 -7.102 -54.464 1.00 1.00 H new ATOM 0 HD2 ARG A 71 2.818 -7.122 -56.168 1.00 1.00 H new ATOM 0 HD3 ARG A 71 3.559 -8.543 -55.459 1.00 1.00 H new ATOM 0 HE ARG A 71 1.319 -8.493 -57.286 1.00 1.00 H new ATOM 0 HH11 ARG A 71 2.671 -10.210 -54.514 1.00 1.00 H new ATOM 0 HH12 ARG A 71 1.889 -11.738 -54.932 1.00 1.00 H new ATOM 0 HH21 ARG A 71 0.317 -10.459 -57.816 1.00 1.00 H new ATOM 0 HH22 ARG A 71 0.562 -11.878 -56.794 1.00 1.00 H new ATOM 513 N HIS A 72 5.444 -6.494 -51.431 1.00 1.00 N ATOM 514 CA HIS A 72 6.623 -5.693 -51.119 1.00 1.00 C ATOM 515 C HIS A 72 7.897 -6.516 -51.283 1.00 1.00 C ATOM 516 O HIS A 72 8.979 -5.966 -51.492 1.00 1.00 O ATOM 517 CB HIS A 72 6.533 -5.150 -49.692 1.00 1.00 C ATOM 518 CG HIS A 72 5.808 -3.844 -49.593 1.00 1.00 C ATOM 519 ND1 HIS A 72 5.904 -2.855 -50.549 1.00 1.00 N ATOM 520 CD2 HIS A 72 4.968 -3.367 -48.644 1.00 1.00 C ATOM 521 CE1 HIS A 72 5.157 -1.826 -50.191 1.00 1.00 C ATOM 522 NE2 HIS A 72 4.578 -2.111 -49.039 1.00 1.00 N ATOM 0 H HIS A 72 4.763 -6.555 -50.674 1.00 1.00 H new ATOM 0 HA HIS A 72 6.659 -4.856 -51.817 1.00 1.00 H new ATOM 0 HB2 HIS A 72 6.029 -5.884 -49.064 1.00 1.00 H new ATOM 0 HB3 HIS A 72 7.540 -5.028 -49.294 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.662 -3.879 -47.744 1.00 1.00 H new ATOM 0 HE1 HIS A 72 5.040 -0.907 -50.746 1.00 1.00 H new ATOM 0 HE2 HIS A 72 3.944 -1.498 -48.526 1.00 1.00 H new ATOM 530 N ILE A 73 7.761 -7.834 -51.187 1.00 1.00 N ATOM 531 CA ILE A 73 8.902 -8.731 -51.326 1.00 1.00 C ATOM 532 C ILE A 73 9.111 -9.134 -52.781 1.00 1.00 C ATOM 533 O ILE A 73 10.209 -9.529 -53.176 1.00 1.00 O ATOM 534 CB ILE A 73 8.725 -10.002 -50.474 1.00 1.00 C ATOM 535 CG1 ILE A 73 8.590 -9.636 -48.994 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.896 -10.950 -50.687 1.00 1.00 C ATOM 537 CD1 ILE A 73 9.872 -9.118 -48.381 1.00 1.00 C ATOM 0 H ILE A 73 6.873 -8.305 -51.014 1.00 1.00 H new ATOM 0 HA ILE A 73 9.777 -8.185 -50.974 1.00 1.00 H new ATOM 0 HB ILE A 73 7.812 -10.508 -50.788 1.00 1.00 H new ATOM 0 HG12 ILE A 73 7.813 -8.880 -48.884 1.00 1.00 H new ATOM 0 HG13 ILE A 73 8.260 -10.514 -48.439 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.756 -11.843 -50.078 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.949 -11.232 -51.739 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.823 -10.455 -50.397 1.00 1.00 H new ATOM 0 HD11 ILE A 73 9.703 -8.879 -47.331 1.00 1.00 H new ATOM 0 HD12 ILE A 73 10.647 -9.881 -48.459 1.00 1.00 H new ATOM 0 HD13 ILE A 73 10.192 -8.221 -48.911 1.00 1.00 H new ATOM 549 N VAL A 74 8.052 -9.028 -53.577 1.00 1.00 N ATOM 550 CA VAL A 74 8.120 -9.377 -54.991 1.00 1.00 C ATOM 551 C VAL A 74 8.903 -8.333 -55.778 1.00 1.00 C ATOM 552 O VAL A 74 9.038 -7.188 -55.346 1.00 1.00 O ATOM 553 CB VAL A 74 6.714 -9.518 -55.603 1.00 1.00 C ATOM 554 CG1 VAL A 74 6.795 -10.131 -56.993 1.00 1.00 C ATOM 555 CG2 VAL A 74 5.819 -10.348 -54.696 1.00 1.00 C ATOM 0 H VAL A 74 7.136 -8.703 -53.267 1.00 1.00 H new ATOM 0 HA VAL A 74 8.634 -10.336 -55.055 1.00 1.00 H new ATOM 0 HB VAL A 74 6.276 -8.524 -55.696 1.00 1.00 H new ATOM 0 HG11 VAL A 74 5.792 -10.223 -57.409 1.00 1.00 H new ATOM 0 HG12 VAL A 74 7.398 -9.492 -57.638 1.00 1.00 H new ATOM 0 HG13 VAL A 74 7.253 -11.118 -56.929 1.00 1.00 H new ATOM 0 HG21 VAL A 74 4.829 -10.437 -55.144 1.00 1.00 H new ATOM 0 HG22 VAL A 74 6.251 -11.341 -54.569 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.735 -9.862 -53.724 1.00 1.00 H new ATOM 565 N ARG A 75 9.417 -8.734 -56.936 1.00 1.00 N ATOM 566 CA ARG A 75 10.188 -7.833 -57.784 1.00 1.00 C ATOM 567 C ARG A 75 9.499 -6.477 -57.904 1.00 1.00 C ATOM 568 O ARG A 75 8.492 -6.339 -58.599 1.00 1.00 O ATOM 569 CB ARG A 75 10.380 -8.444 -59.173 1.00 1.00 C ATOM 570 CG ARG A 75 11.136 -9.763 -59.158 1.00 1.00 C ATOM 571 CD ARG A 75 11.089 -10.447 -60.516 1.00 1.00 C ATOM 572 NE ARG A 75 11.639 -11.799 -60.467 1.00 1.00 N ATOM 573 CZ ARG A 75 11.871 -12.537 -61.547 1.00 1.00 C ATOM 574 NH1 ARG A 75 11.604 -12.056 -62.753 1.00 1.00 N ATOM 575 NH2 ARG A 75 12.373 -13.759 -61.421 1.00 1.00 N ATOM 0 H ARG A 75 9.313 -9.678 -57.309 1.00 1.00 H new ATOM 0 HA ARG A 75 11.164 -7.686 -57.322 1.00 1.00 H new ATOM 0 HB2 ARG A 75 9.403 -8.600 -59.630 1.00 1.00 H new ATOM 0 HB3 ARG A 75 10.917 -7.734 -59.802 1.00 1.00 H new ATOM 0 HG2 ARG A 75 12.173 -9.586 -58.874 1.00 1.00 H new ATOM 0 HG3 ARG A 75 10.707 -10.421 -58.403 1.00 1.00 H new ATOM 0 HD2 ARG A 75 10.057 -10.488 -60.866 1.00 1.00 H new ATOM 0 HD3 ARG A 75 11.648 -9.854 -61.240 1.00 1.00 H new ATOM 0 HE ARG A 75 11.857 -12.198 -59.554 1.00 1.00 H new ATOM 0 HH11 ARG A 75 11.219 -11.117 -62.854 1.00 1.00 H new ATOM 0 HH12 ARG A 75 11.783 -12.625 -63.580 1.00 1.00 H new ATOM 0 HH21 ARG A 75 12.581 -14.132 -60.495 1.00 1.00 H new ATOM 0 HH22 ARG A 75 12.551 -14.325 -62.250 1.00 1.00 H new ATOM 589 N LYS A 76 10.047 -5.478 -57.221 1.00 1.00 N ATOM 590 CA LYS A 76 9.486 -4.132 -57.250 1.00 1.00 C ATOM 591 C LYS A 76 9.516 -3.560 -58.664 1.00 1.00 C ATOM 592 O LYS A 76 8.739 -2.666 -58.999 1.00 1.00 O ATOM 593 CB LYS A 76 10.259 -3.214 -56.301 1.00 1.00 C ATOM 594 CG LYS A 76 10.041 -3.535 -54.832 1.00 1.00 C ATOM 595 CD LYS A 76 10.970 -4.639 -54.358 1.00 1.00 C ATOM 596 CE LYS A 76 11.135 -4.619 -52.846 1.00 1.00 C ATOM 597 NZ LYS A 76 12.303 -3.797 -52.426 1.00 1.00 N ATOM 0 H LYS A 76 10.880 -5.575 -56.640 1.00 1.00 H new ATOM 0 HA LYS A 76 8.448 -4.191 -56.923 1.00 1.00 H new ATOM 0 HB2 LYS A 76 11.323 -3.286 -56.526 1.00 1.00 H new ATOM 0 HB3 LYS A 76 9.963 -2.181 -56.486 1.00 1.00 H new ATOM 0 HG2 LYS A 76 10.206 -2.638 -54.235 1.00 1.00 H new ATOM 0 HG3 LYS A 76 9.006 -3.837 -54.675 1.00 1.00 H new ATOM 0 HD2 LYS A 76 10.575 -5.606 -54.669 1.00 1.00 H new ATOM 0 HD3 LYS A 76 11.944 -4.525 -54.833 1.00 1.00 H new ATOM 0 HE2 LYS A 76 10.229 -4.223 -52.387 1.00 1.00 H new ATOM 0 HE3 LYS A 76 11.258 -5.639 -52.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 12.381 -3.809 -51.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 13.171 -4.189 -52.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 12.174 -2.818 -52.752 1.00 1.00 H new ATOM 611 N ARG A 77 10.417 -4.084 -59.490 1.00 1.00 N ATOM 612 CA ARG A 77 10.548 -3.624 -60.867 1.00 1.00 C ATOM 613 C ARG A 77 9.246 -3.830 -61.635 1.00 1.00 C ATOM 614 O ARG A 77 8.896 -3.037 -62.510 1.00 1.00 O ATOM 615 CB ARG A 77 11.689 -4.365 -61.567 1.00 1.00 C ATOM 616 CG ARG A 77 13.033 -3.665 -61.448 1.00 1.00 C ATOM 617 CD ARG A 77 14.091 -4.341 -62.306 1.00 1.00 C ATOM 618 NE ARG A 77 13.784 -4.245 -63.731 1.00 1.00 N ATOM 619 CZ ARG A 77 14.539 -4.781 -64.683 1.00 1.00 C ATOM 620 NH1 ARG A 77 15.640 -5.448 -64.364 1.00 1.00 N ATOM 621 NH2 ARG A 77 14.194 -4.651 -65.957 1.00 1.00 N ATOM 0 H ARG A 77 11.066 -4.826 -59.229 1.00 1.00 H new ATOM 0 HA ARG A 77 10.773 -2.558 -60.848 1.00 1.00 H new ATOM 0 HB2 ARG A 77 11.772 -5.367 -61.146 1.00 1.00 H new ATOM 0 HB3 ARG A 77 11.442 -4.482 -62.622 1.00 1.00 H new ATOM 0 HG2 ARG A 77 12.930 -2.623 -61.750 1.00 1.00 H new ATOM 0 HG3 ARG A 77 13.353 -3.665 -60.406 1.00 1.00 H new ATOM 0 HD2 ARG A 77 15.061 -3.883 -62.113 1.00 1.00 H new ATOM 0 HD3 ARG A 77 14.171 -5.390 -62.022 1.00 1.00 H new ATOM 0 HE ARG A 77 12.944 -3.739 -64.010 1.00 1.00 H new ATOM 0 HH11 ARG A 77 15.909 -5.550 -63.385 1.00 1.00 H new ATOM 0 HH12 ARG A 77 16.218 -5.859 -65.097 1.00 1.00 H new ATOM 0 HH21 ARG A 77 13.348 -4.139 -66.207 1.00 1.00 H new ATOM 0 HH22 ARG A 77 14.775 -5.063 -66.687 1.00 1.00 H new ATOM 635 N THR A 78 8.532 -4.902 -61.304 1.00 1.00 N ATOM 636 CA THR A 78 7.270 -5.213 -61.963 1.00 1.00 C ATOM 637 C THR A 78 6.331 -4.013 -61.947 1.00 1.00 C ATOM 638 O THR A 78 5.875 -3.555 -62.996 1.00 1.00 O ATOM 639 CB THR A 78 6.567 -6.409 -61.293 1.00 1.00 C ATOM 640 OG1 THR A 78 7.541 -7.343 -60.811 1.00 1.00 O ATOM 641 CG2 THR A 78 5.632 -7.104 -62.271 1.00 1.00 C ATOM 0 H THR A 78 8.807 -5.569 -60.583 1.00 1.00 H new ATOM 0 HA THR A 78 7.507 -5.471 -62.995 1.00 1.00 H new ATOM 0 HB THR A 78 5.978 -6.034 -60.456 1.00 1.00 H new ATOM 0 HG1 THR A 78 7.673 -7.211 -59.849 1.00 1.00 H new ATOM 0 HG21 THR A 78 5.147 -7.945 -61.776 1.00 1.00 H new ATOM 0 HG22 THR A 78 4.875 -6.399 -62.614 1.00 1.00 H new ATOM 0 HG23 THR A 78 6.203 -7.467 -63.125 1.00 1.00 H new ATOM 649 N LEU A 79 6.045 -3.506 -60.753 1.00 1.00 N ATOM 650 CA LEU A 79 5.159 -2.357 -60.601 1.00 1.00 C ATOM 651 C LEU A 79 5.622 -1.194 -61.472 1.00 1.00 C ATOM 652 O LEU A 79 4.816 -0.552 -62.147 1.00 1.00 O ATOM 653 CB LEU A 79 5.103 -1.922 -59.136 1.00 1.00 C ATOM 654 CG LEU A 79 4.018 -2.578 -58.282 1.00 1.00 C ATOM 655 CD1 LEU A 79 4.297 -4.063 -58.111 1.00 1.00 C ATOM 656 CD2 LEU A 79 3.919 -1.893 -56.927 1.00 1.00 C ATOM 0 H LEU A 79 6.414 -3.873 -59.876 1.00 1.00 H new ATOM 0 HA LEU A 79 4.161 -2.653 -60.924 1.00 1.00 H new ATOM 0 HB2 LEU A 79 6.071 -2.128 -58.679 1.00 1.00 H new ATOM 0 HB3 LEU A 79 4.959 -0.842 -59.104 1.00 1.00 H new ATOM 0 HG LEU A 79 3.063 -2.466 -58.795 1.00 1.00 H new ATOM 0 HD11 LEU A 79 3.514 -4.512 -57.500 1.00 1.00 H new ATOM 0 HD12 LEU A 79 4.316 -4.545 -59.089 1.00 1.00 H new ATOM 0 HD13 LEU A 79 5.261 -4.198 -57.621 1.00 1.00 H new ATOM 0 HD21 LEU A 79 3.142 -2.373 -56.333 1.00 1.00 H new ATOM 0 HD22 LEU A 79 4.874 -1.973 -56.408 1.00 1.00 H new ATOM 0 HD23 LEU A 79 3.670 -0.841 -57.068 1.00 1.00 H new ATOM 668 N ARG A 80 6.924 -0.929 -61.454 1.00 1.00 N ATOM 669 CA ARG A 80 7.494 0.157 -62.243 1.00 1.00 C ATOM 670 C ARG A 80 7.247 -0.066 -63.732 1.00 1.00 C ATOM 671 O ARG A 80 6.786 0.833 -64.436 1.00 1.00 O ATOM 672 CB ARG A 80 8.995 0.276 -61.975 1.00 1.00 C ATOM 673 CG ARG A 80 9.337 1.213 -60.828 1.00 1.00 C ATOM 674 CD ARG A 80 9.729 0.441 -59.577 1.00 1.00 C ATOM 675 NE ARG A 80 10.659 1.194 -58.739 1.00 1.00 N ATOM 676 CZ ARG A 80 10.323 2.292 -58.073 1.00 1.00 C ATOM 677 NH1 ARG A 80 9.086 2.764 -58.145 1.00 1.00 N ATOM 678 NH2 ARG A 80 11.225 2.921 -57.330 1.00 1.00 N ATOM 0 H ARG A 80 7.604 -1.451 -60.902 1.00 1.00 H new ATOM 0 HA ARG A 80 7.005 1.085 -61.947 1.00 1.00 H new ATOM 0 HB2 ARG A 80 9.396 -0.714 -61.756 1.00 1.00 H new ATOM 0 HB3 ARG A 80 9.490 0.628 -62.880 1.00 1.00 H new ATOM 0 HG2 ARG A 80 10.156 1.869 -61.124 1.00 1.00 H new ATOM 0 HG3 ARG A 80 8.481 1.851 -60.610 1.00 1.00 H new ATOM 0 HD2 ARG A 80 8.834 0.203 -59.002 1.00 1.00 H new ATOM 0 HD3 ARG A 80 10.185 -0.507 -59.864 1.00 1.00 H new ATOM 0 HE ARG A 80 11.619 0.858 -58.661 1.00 1.00 H new ATOM 0 HH11 ARG A 80 8.389 2.283 -58.714 1.00 1.00 H new ATOM 0 HH12 ARG A 80 8.831 3.608 -57.632 1.00 1.00 H new ATOM 0 HH21 ARG A 80 12.177 2.561 -57.270 1.00 1.00 H new ATOM 0 HH22 ARG A 80 10.966 3.765 -56.819 1.00 1.00 H new ATOM 692 N ARG A 81 7.559 -1.268 -64.205 1.00 1.00 N ATOM 693 CA ARG A 81 7.373 -1.608 -65.611 1.00 1.00 C ATOM 694 C ARG A 81 5.939 -1.332 -66.052 1.00 1.00 C ATOM 695 O ARG A 81 5.696 -0.907 -67.182 1.00 1.00 O ATOM 696 CB ARG A 81 7.719 -3.079 -65.852 1.00 1.00 C ATOM 697 CG ARG A 81 9.207 -3.335 -66.021 1.00 1.00 C ATOM 698 CD ARG A 81 9.697 -2.890 -67.390 1.00 1.00 C ATOM 699 NE ARG A 81 9.123 -3.694 -68.465 1.00 1.00 N ATOM 700 CZ ARG A 81 9.477 -4.951 -68.711 1.00 1.00 C ATOM 701 NH1 ARG A 81 10.397 -5.543 -67.963 1.00 1.00 N ATOM 702 NH2 ARG A 81 8.908 -5.618 -69.708 1.00 1.00 N ATOM 0 H ARG A 81 7.942 -2.023 -63.636 1.00 1.00 H new ATOM 0 HA ARG A 81 8.043 -0.983 -66.202 1.00 1.00 H new ATOM 0 HB2 ARG A 81 7.350 -3.672 -65.015 1.00 1.00 H new ATOM 0 HB3 ARG A 81 7.196 -3.425 -66.743 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.759 -2.804 -65.246 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.412 -4.397 -65.888 1.00 1.00 H new ATOM 0 HD2 ARG A 81 9.440 -1.842 -67.544 1.00 1.00 H new ATOM 0 HD3 ARG A 81 10.784 -2.960 -67.426 1.00 1.00 H new ATOM 0 HE ARG A 81 8.412 -3.268 -69.059 1.00 1.00 H new ATOM 0 HH11 ARG A 81 10.836 -5.034 -67.196 1.00 1.00 H new ATOM 0 HH12 ARG A 81 10.666 -6.508 -68.154 1.00 1.00 H new ATOM 0 HH21 ARG A 81 8.199 -5.166 -70.285 1.00 1.00 H new ATOM 0 HH22 ARG A 81 9.180 -6.583 -69.897 1.00 1.00 H new ATOM 716 N LEU A 82 4.991 -1.577 -65.153 1.00 1.00 N ATOM 717 CA LEU A 82 3.580 -1.357 -65.450 1.00 1.00 C ATOM 718 C LEU A 82 3.249 0.132 -65.448 1.00 1.00 C ATOM 719 O LEU A 82 2.473 0.608 -66.277 1.00 1.00 O ATOM 720 CB LEU A 82 2.704 -2.087 -64.430 1.00 1.00 C ATOM 721 CG LEU A 82 2.944 -3.591 -64.294 1.00 1.00 C ATOM 722 CD1 LEU A 82 2.622 -4.058 -62.883 1.00 1.00 C ATOM 723 CD2 LEU A 82 2.115 -4.358 -65.314 1.00 1.00 C ATOM 0 H LEU A 82 5.174 -1.928 -64.213 1.00 1.00 H new ATOM 0 HA LEU A 82 3.377 -1.754 -66.445 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.856 -1.625 -63.454 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.660 -1.929 -64.699 1.00 1.00 H new ATOM 0 HG LEU A 82 3.998 -3.790 -64.489 1.00 1.00 H new ATOM 0 HD11 LEU A 82 2.799 -5.131 -62.806 1.00 1.00 H new ATOM 0 HD12 LEU A 82 3.259 -3.533 -62.172 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.577 -3.846 -62.659 1.00 1.00 H new ATOM 0 HD21 LEU A 82 2.299 -5.427 -65.202 1.00 1.00 H new ATOM 0 HD22 LEU A 82 1.057 -4.153 -65.151 1.00 1.00 H new ATOM 0 HD23 LEU A 82 2.395 -4.045 -66.320 1.00 1.00 H new ATOM 735 N LEU A 83 3.845 0.864 -64.512 1.00 1.00 N ATOM 736 CA LEU A 83 3.615 2.300 -64.403 1.00 1.00 C ATOM 737 C LEU A 83 4.152 3.032 -65.629 1.00 1.00 C ATOM 738 O LEU A 83 3.586 4.036 -66.060 1.00 1.00 O ATOM 739 CB LEU A 83 4.277 2.847 -63.137 1.00 1.00 C ATOM 740 CG LEU A 83 3.448 2.760 -61.855 1.00 1.00 C ATOM 741 CD1 LEU A 83 4.332 2.953 -60.633 1.00 1.00 C ATOM 742 CD2 LEU A 83 2.328 3.790 -61.873 1.00 1.00 C ATOM 0 H LEU A 83 4.491 0.486 -63.818 1.00 1.00 H new ATOM 0 HA LEU A 83 2.540 2.468 -64.345 1.00 1.00 H new ATOM 0 HB2 LEU A 83 5.212 2.309 -62.979 1.00 1.00 H new ATOM 0 HB3 LEU A 83 4.535 3.892 -63.309 1.00 1.00 H new ATOM 0 HG LEU A 83 3.001 1.767 -61.801 1.00 1.00 H new ATOM 0 HD11 LEU A 83 3.724 2.888 -59.730 1.00 1.00 H new ATOM 0 HD12 LEU A 83 5.098 2.178 -60.612 1.00 1.00 H new ATOM 0 HD13 LEU A 83 4.809 3.932 -60.680 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.749 3.713 -60.953 1.00 1.00 H new ATOM 0 HD22 LEU A 83 2.755 4.790 -61.951 1.00 1.00 H new ATOM 0 HD23 LEU A 83 1.678 3.605 -62.728 1.00 1.00 H new ATOM 754 N GLN A 84 5.246 2.521 -66.185 1.00 1.00 N ATOM 755 CA GLN A 84 5.857 3.126 -67.362 1.00 1.00 C ATOM 756 C GLN A 84 4.835 3.293 -68.482 1.00 1.00 C ATOM 757 O GLN A 84 4.764 4.343 -69.118 1.00 1.00 O ATOM 758 CB GLN A 84 7.030 2.273 -67.849 1.00 1.00 C ATOM 759 CG GLN A 84 8.247 2.338 -66.940 1.00 1.00 C ATOM 760 CD GLN A 84 9.316 3.278 -67.462 1.00 1.00 C ATOM 761 OE1 GLN A 84 9.141 4.497 -67.460 1.00 1.00 O ATOM 762 NE2 GLN A 84 10.431 2.715 -67.912 1.00 1.00 N ATOM 0 H GLN A 84 5.727 1.690 -65.839 1.00 1.00 H new ATOM 0 HA GLN A 84 6.226 4.113 -67.082 1.00 1.00 H new ATOM 0 HB2 GLN A 84 6.704 1.236 -67.933 1.00 1.00 H new ATOM 0 HB3 GLN A 84 7.316 2.600 -68.849 1.00 1.00 H new ATOM 0 HG2 GLN A 84 7.937 2.662 -65.947 1.00 1.00 H new ATOM 0 HG3 GLN A 84 8.669 1.339 -66.832 1.00 1.00 H new ATOM 0 HE21 GLN A 84 10.533 1.700 -67.895 1.00 1.00 H new ATOM 0 HE22 GLN A 84 11.186 3.297 -68.275 1.00 1.00 H new ATOM 771 N GLU A 85 4.046 2.249 -68.716 1.00 1.00 N ATOM 772 CA GLU A 85 3.028 2.280 -69.760 1.00 1.00 C ATOM 773 C GLU A 85 1.802 3.063 -69.300 1.00 1.00 C ATOM 774 O GLU A 85 1.222 3.834 -70.064 1.00 1.00 O ATOM 775 CB GLU A 85 2.623 0.858 -70.151 1.00 1.00 C ATOM 776 CG GLU A 85 3.446 0.281 -71.290 1.00 1.00 C ATOM 777 CD GLU A 85 3.149 0.947 -72.620 1.00 1.00 C ATOM 778 OE1 GLU A 85 2.535 2.035 -72.614 1.00 1.00 O ATOM 779 OE2 GLU A 85 3.529 0.381 -73.666 1.00 1.00 O ATOM 0 H GLU A 85 4.092 1.372 -68.197 1.00 1.00 H new ATOM 0 HA GLU A 85 3.451 2.781 -70.631 1.00 1.00 H new ATOM 0 HB2 GLU A 85 2.719 0.210 -69.280 1.00 1.00 H new ATOM 0 HB3 GLU A 85 1.571 0.855 -70.436 1.00 1.00 H new ATOM 0 HG2 GLU A 85 4.506 0.393 -71.061 1.00 1.00 H new ATOM 0 HG3 GLU A 85 3.248 -0.788 -71.371 1.00 1.00 H new ATOM 786 N ARG A 86 1.412 2.857 -68.046 1.00 1.00 N ATOM 787 CA ARG A 86 0.255 3.543 -67.484 1.00 1.00 C ATOM 788 C ARG A 86 0.421 5.057 -67.580 1.00 1.00 C ATOM 789 O ARG A 86 -0.557 5.789 -67.723 1.00 1.00 O ATOM 790 CB ARG A 86 0.052 3.133 -66.024 1.00 1.00 C ATOM 791 CG ARG A 86 -0.478 1.718 -65.856 1.00 1.00 C ATOM 792 CD ARG A 86 -0.546 1.318 -64.391 1.00 1.00 C ATOM 793 NE ARG A 86 -1.021 -0.052 -64.219 1.00 1.00 N ATOM 794 CZ ARG A 86 -1.378 -0.564 -63.046 1.00 1.00 C ATOM 795 NH1 ARG A 86 -1.315 0.177 -61.949 1.00 1.00 N ATOM 796 NH2 ARG A 86 -1.800 -1.820 -62.970 1.00 1.00 N ATOM 0 H ARG A 86 1.880 2.221 -67.401 1.00 1.00 H new ATOM 0 HA ARG A 86 -0.623 3.254 -68.061 1.00 1.00 H new ATOM 0 HB2 ARG A 86 1.001 3.221 -65.495 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -0.641 3.830 -65.553 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -1.471 1.645 -66.300 1.00 1.00 H new ATOM 0 HG3 ARG A 86 0.164 1.022 -66.395 1.00 1.00 H new ATOM 0 HD2 ARG A 86 0.442 1.418 -63.942 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -1.209 2.001 -63.859 1.00 1.00 H new ATOM 0 HE ARG A 86 -1.082 -0.648 -65.044 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -0.992 1.143 -62.004 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -1.590 -0.219 -61.050 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -1.850 -2.393 -63.812 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -2.074 -2.212 -62.069 1.00 1.00 H new ATOM 810 N GLU A 87 1.665 5.517 -67.499 1.00 1.00 N ATOM 811 CA GLU A 87 1.958 6.943 -67.575 1.00 1.00 C ATOM 812 C GLU A 87 1.742 7.468 -68.992 1.00 1.00 C ATOM 813 O GLU A 87 1.480 8.655 -69.193 1.00 1.00 O ATOM 814 CB GLU A 87 3.397 7.215 -67.133 1.00 1.00 C ATOM 815 CG GLU A 87 3.533 7.506 -65.648 1.00 1.00 C ATOM 816 CD GLU A 87 3.411 8.983 -65.329 1.00 1.00 C ATOM 817 OE1 GLU A 87 2.275 9.449 -65.102 1.00 1.00 O ATOM 818 OE2 GLU A 87 4.452 9.673 -65.305 1.00 1.00 O ATOM 0 H GLU A 87 2.486 4.923 -67.381 1.00 1.00 H new ATOM 0 HA GLU A 87 1.275 7.464 -66.904 1.00 1.00 H new ATOM 0 HB2 GLU A 87 4.014 6.352 -67.384 1.00 1.00 H new ATOM 0 HB3 GLU A 87 3.788 8.061 -67.698 1.00 1.00 H new ATOM 0 HG2 GLU A 87 2.766 6.956 -65.102 1.00 1.00 H new ATOM 0 HG3 GLU A 87 4.498 7.141 -65.297 1.00 1.00 H new ATOM 825 N LEU A 88 1.853 6.576 -69.970 1.00 1.00 N ATOM 826 CA LEU A 88 1.671 6.948 -71.369 1.00 1.00 C ATOM 827 C LEU A 88 0.239 7.406 -71.628 1.00 1.00 C ATOM 828 O LEU A 88 0.004 8.344 -72.390 1.00 1.00 O ATOM 829 CB LEU A 88 2.014 5.768 -72.280 1.00 1.00 C ATOM 830 CG LEU A 88 2.607 6.123 -73.644 1.00 1.00 C ATOM 831 CD1 LEU A 88 1.694 7.084 -74.389 1.00 1.00 C ATOM 832 CD2 LEU A 88 3.997 6.721 -73.481 1.00 1.00 C ATOM 0 H LEU A 88 2.068 5.590 -69.820 1.00 1.00 H new ATOM 0 HA LEU A 88 2.344 7.777 -71.590 1.00 1.00 H new ATOM 0 HB2 LEU A 88 2.720 5.124 -71.756 1.00 1.00 H new ATOM 0 HB3 LEU A 88 1.108 5.184 -72.441 1.00 1.00 H new ATOM 0 HG LEU A 88 2.693 5.209 -74.231 1.00 1.00 H new ATOM 0 HD11 LEU A 88 2.132 7.325 -75.357 1.00 1.00 H new ATOM 0 HD12 LEU A 88 0.720 6.619 -74.538 1.00 1.00 H new ATOM 0 HD13 LEU A 88 1.575 7.998 -73.807 1.00 1.00 H new ATOM 0 HD21 LEU A 88 4.404 6.968 -74.462 1.00 1.00 H new ATOM 0 HD22 LEU A 88 3.935 7.625 -72.876 1.00 1.00 H new ATOM 0 HD23 LEU A 88 4.648 5.999 -72.989 1.00 1.00 H new ATOM 844 N VAL A 89 -0.716 6.739 -70.987 1.00 1.00 N ATOM 845 CA VAL A 89 -2.124 7.079 -71.145 1.00 1.00 C ATOM 846 C VAL A 89 -2.856 7.025 -69.808 1.00 1.00 C ATOM 847 O VAL A 89 -3.273 5.957 -69.362 1.00 1.00 O ATOM 848 CB VAL A 89 -2.823 6.132 -72.139 1.00 1.00 C ATOM 849 CG1 VAL A 89 -4.278 6.534 -72.326 1.00 1.00 C ATOM 850 CG2 VAL A 89 -2.088 6.122 -73.471 1.00 1.00 C ATOM 0 H VAL A 89 -0.539 5.960 -70.353 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.162 8.096 -71.536 1.00 1.00 H new ATOM 0 HB VAL A 89 -2.800 5.122 -71.730 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.756 5.854 -73.031 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.795 6.485 -71.368 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -4.327 7.552 -72.713 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.595 5.448 -74.161 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.078 7.129 -73.889 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -1.064 5.782 -73.319 1.00 1.00 H new ATOM 860 N GLU A 90 -3.008 8.184 -69.175 1.00 1.00 N ATOM 861 CA GLU A 90 -3.690 8.268 -67.889 1.00 1.00 C ATOM 862 C GLU A 90 -5.178 8.548 -68.080 1.00 1.00 C ATOM 863 O GLU A 90 -5.612 8.944 -69.160 1.00 1.00 O ATOM 864 CB GLU A 90 -3.060 9.360 -67.023 1.00 1.00 C ATOM 865 CG GLU A 90 -1.858 8.886 -66.224 1.00 1.00 C ATOM 866 CD GLU A 90 -1.587 9.753 -65.009 1.00 1.00 C ATOM 867 OE1 GLU A 90 -2.525 9.972 -64.215 1.00 1.00 O ATOM 868 OE2 GLU A 90 -0.435 10.210 -64.853 1.00 1.00 O ATOM 0 H GLU A 90 -2.668 9.077 -69.532 1.00 1.00 H new ATOM 0 HA GLU A 90 -3.581 7.308 -67.385 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -2.757 10.189 -67.662 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -3.813 9.746 -66.336 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -2.023 7.858 -65.903 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -0.978 8.882 -66.867 1.00 1.00 H new ATOM 875 N GLY A 91 -5.954 8.340 -67.020 1.00 1.00 N ATOM 876 CA GLY A 91 -7.384 8.574 -67.091 1.00 1.00 C ATOM 877 C GLY A 91 -8.190 7.395 -66.584 1.00 1.00 C ATOM 878 O GLY A 91 -9.026 6.849 -67.303 1.00 1.00 O ATOM 0 H GLY A 91 -5.617 8.014 -66.114 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -7.634 9.459 -66.506 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -7.664 8.785 -68.123 1.00 1.00 H new ATOM 882 N GLY A 92 -7.938 6.998 -65.340 1.00 1.00 N ATOM 883 CA GLY A 92 -8.654 5.878 -64.758 1.00 1.00 C ATOM 884 C GLY A 92 -9.074 6.140 -63.326 1.00 1.00 C ATOM 885 O GLY A 92 -8.657 5.430 -62.410 1.00 1.00 O ATOM 0 H GLY A 92 -7.250 7.433 -64.725 1.00 1.00 H new ATOM 0 HA2 GLY A 92 -9.538 5.664 -65.359 1.00 1.00 H new ATOM 0 HA3 GLY A 92 -8.023 4.990 -64.792 1.00 1.00 H new TER 889 GLY A 92