USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 562 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 52 SER OG : rot 180:sc=0.000176 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-0.11) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.064 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 141:sc= 0.0419 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 26:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= -3.23 K(o=-3.2,f=-4.7!) USER MOD Single : A 20 MET CE :methyl 132:sc= -1.92 (180deg=-6.65!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 38 TYR OH : rot 59:sc= -1.39! USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0413) USER MOD Single : A 49 THR OG1 : rot -110:sc= -1.04 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -18.4! C(o=-18!,f=-9.5!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -160:sc= -0.0394 (180deg=-0.557) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.458 -17.306 5.792 1.00 0.00 N ATOM 2 CA ALA A 1 -21.115 -15.921 5.495 1.00 0.00 C ATOM 3 C ALA A 1 -22.368 -15.071 5.314 1.00 0.00 C ATOM 4 O ALA A 1 -22.709 -14.682 4.197 1.00 0.00 O ATOM 5 CB ALA A 1 -20.240 -15.848 4.252 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.587 -17.862 5.910 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.015 -17.345 6.669 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.017 -17.701 5.009 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.557 -15.522 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.992 -14.808 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.323 -16.413 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.778 -16.271 3.403 1.00 0.00 H new ATOM 11 N LEU A 2 -23.050 -14.788 6.418 1.00 0.00 N ATOM 12 CA LEU A 2 -24.266 -13.984 6.381 1.00 0.00 C ATOM 13 C LEU A 2 -23.974 -12.577 5.869 1.00 0.00 C ATOM 14 O LEU A 2 -24.764 -12.002 5.120 1.00 0.00 O ATOM 15 CB LEU A 2 -24.897 -13.912 7.773 1.00 0.00 C ATOM 16 CG LEU A 2 -26.405 -13.661 7.815 1.00 0.00 C ATOM 17 CD1 LEU A 2 -27.148 -14.935 8.185 1.00 0.00 C ATOM 18 CD2 LEU A 2 -26.732 -12.545 8.798 1.00 0.00 C ATOM 0 H LEU A 2 -22.781 -15.104 7.350 1.00 0.00 H new ATOM 0 HA LEU A 2 -24.966 -14.462 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -24.690 -14.848 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -24.401 -13.120 8.334 1.00 0.00 H new ATOM 0 HG LEU A 2 -26.731 -13.351 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -28.220 -14.737 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -26.939 -15.707 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -26.819 -15.276 9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -27.809 -12.379 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -26.392 -12.827 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -26.229 -11.629 8.489 1.00 0.00 H new ATOM 30 N ASP A 3 -22.835 -12.029 6.276 1.00 0.00 N ATOM 31 CA ASP A 3 -22.436 -10.692 5.856 1.00 0.00 C ATOM 32 C ASP A 3 -21.922 -10.703 4.420 1.00 0.00 C ATOM 33 O ASP A 3 -21.508 -11.735 3.891 1.00 0.00 O ATOM 34 CB ASP A 3 -21.361 -10.139 6.793 1.00 0.00 C ATOM 35 CG ASP A 3 -21.928 -9.193 7.833 1.00 0.00 C ATOM 36 OD1 ASP A 3 -21.507 -9.279 9.006 1.00 0.00 O ATOM 37 OD2 ASP A 3 -22.792 -8.366 7.474 1.00 0.00 O ATOM 0 H ASP A 3 -22.171 -12.491 6.897 1.00 0.00 H new ATOM 0 HA ASP A 3 -23.313 -10.047 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.860 -10.967 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.605 -9.617 6.206 1.00 0.00 H new ATOM 42 N PRO A 4 -21.948 -9.529 3.772 1.00 0.00 N ATOM 43 CA PRO A 4 -21.488 -9.378 2.389 1.00 0.00 C ATOM 44 C PRO A 4 -19.976 -9.526 2.260 1.00 0.00 C ATOM 45 O PRO A 4 -19.474 -10.033 1.256 1.00 0.00 O ATOM 46 CB PRO A 4 -21.918 -7.955 2.024 1.00 0.00 C ATOM 47 CG PRO A 4 -21.991 -7.236 3.328 1.00 0.00 C ATOM 48 CD PRO A 4 -22.429 -8.259 4.340 1.00 0.00 C ATOM 0 HA PRO A 4 -21.905 -10.145 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.200 -7.484 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -22.882 -7.951 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.023 -6.812 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.698 -6.408 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.993 -8.067 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.512 -8.260 4.467 1.00 0.00 H new ATOM 56 N LEU A 5 -19.254 -9.081 3.283 1.00 0.00 N ATOM 57 CA LEU A 5 -17.798 -9.165 3.286 1.00 0.00 C ATOM 58 C LEU A 5 -17.213 -8.520 2.033 1.00 0.00 C ATOM 59 O LEU A 5 -17.941 -7.966 1.210 1.00 0.00 O ATOM 60 CB LEU A 5 -17.351 -10.625 3.378 1.00 0.00 C ATOM 61 CG LEU A 5 -17.403 -11.257 4.770 1.00 0.00 C ATOM 62 CD1 LEU A 5 -16.818 -10.311 5.807 1.00 0.00 C ATOM 63 CD2 LEU A 5 -18.832 -11.632 5.132 1.00 0.00 C ATOM 0 H LEU A 5 -19.654 -8.658 4.121 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.429 -8.624 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.974 -11.218 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.328 -10.695 3.007 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.802 -12.167 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.863 -10.777 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.780 -10.093 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.391 -9.384 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.850 -12.080 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.455 -10.738 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.216 -12.347 4.404 1.00 0.00 H new ATOM 75 N VAL A 6 -15.894 -8.599 1.894 1.00 0.00 N ATOM 76 CA VAL A 6 -15.211 -8.026 0.740 1.00 0.00 C ATOM 77 C VAL A 6 -15.377 -6.511 0.699 1.00 0.00 C ATOM 78 O VAL A 6 -16.495 -6.001 0.629 1.00 0.00 O ATOM 79 CB VAL A 6 -15.738 -8.624 -0.578 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.977 -8.055 -1.765 1.00 0.00 C ATOM 81 CG2 VAL A 6 -15.641 -10.142 -0.549 1.00 0.00 C ATOM 0 H VAL A 6 -15.277 -9.054 2.566 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.154 -8.270 0.845 1.00 0.00 H new ATOM 0 HB VAL A 6 -16.788 -8.351 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.363 -8.489 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.103 -6.973 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.918 -8.295 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.017 -10.549 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.600 -10.438 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -16.236 -10.529 0.278 1.00 0.00 H new ATOM 91 N SER A 7 -14.257 -5.797 0.745 1.00 0.00 N ATOM 92 CA SER A 7 -14.277 -4.339 0.717 1.00 0.00 C ATOM 93 C SER A 7 -12.991 -3.790 0.107 1.00 0.00 C ATOM 94 O SER A 7 -12.965 -3.385 -1.056 1.00 0.00 O ATOM 95 CB SER A 7 -14.463 -3.783 2.130 1.00 0.00 C ATOM 96 OG SER A 7 -14.669 -4.828 3.066 1.00 0.00 O ATOM 0 H SER A 7 -13.324 -6.205 0.802 1.00 0.00 H new ATOM 0 HA SER A 7 -15.116 -4.023 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.585 -3.203 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.314 -3.102 2.147 1.00 0.00 H new ATOM 0 HG SER A 7 -14.195 -4.620 3.898 1.00 0.00 H new ATOM 102 N CYS A 8 -11.926 -3.777 0.900 1.00 0.00 N ATOM 103 CA CYS A 8 -10.635 -3.277 0.442 1.00 0.00 C ATOM 104 C CYS A 8 -10.400 -3.644 -1.021 1.00 0.00 C ATOM 105 O CYS A 8 -10.904 -4.654 -1.509 1.00 0.00 O ATOM 106 CB CYS A 8 -9.509 -3.841 1.309 1.00 0.00 C ATOM 107 SG CYS A 8 -7.907 -3.004 1.084 1.00 0.00 S ATOM 0 H CYS A 8 -11.931 -4.108 1.865 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.641 -2.191 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.801 -3.769 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.388 -4.901 1.084 1.00 0.00 H new ATOM 112 N LYS A 9 -9.628 -2.813 -1.716 1.00 0.00 N ATOM 113 CA LYS A 9 -9.322 -3.049 -3.121 1.00 0.00 C ATOM 114 C LYS A 9 -7.816 -3.113 -3.348 1.00 0.00 C ATOM 115 O LYS A 9 -7.326 -2.797 -4.432 1.00 0.00 O ATOM 116 CB LYS A 9 -9.933 -1.946 -3.989 1.00 0.00 C ATOM 117 CG LYS A 9 -11.178 -1.318 -3.388 1.00 0.00 C ATOM 118 CD LYS A 9 -11.569 -0.044 -4.118 1.00 0.00 C ATOM 119 CE LYS A 9 -13.038 0.289 -3.909 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.231 1.293 -2.826 1.00 0.00 N ATOM 0 H LYS A 9 -9.204 -1.971 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.754 -4.009 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.187 -1.168 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.181 -2.360 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.002 -2.030 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.002 -1.096 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.953 0.783 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.368 -0.158 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.459 0.672 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.585 -0.621 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.246 1.493 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.852 0.918 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.730 2.170 -3.073 1.00 0.00 H new ATOM 134 N LEU A 10 -7.084 -3.524 -2.317 1.00 0.00 N ATOM 135 CA LEU A 10 -5.632 -3.631 -2.404 1.00 0.00 C ATOM 136 C LEU A 10 -5.170 -5.049 -2.084 1.00 0.00 C ATOM 137 O LEU A 10 -4.053 -5.441 -2.424 1.00 0.00 O ATOM 138 CB LEU A 10 -4.970 -2.638 -1.446 1.00 0.00 C ATOM 139 CG LEU A 10 -5.033 -1.167 -1.856 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.984 -0.268 -0.630 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.897 -0.830 -2.812 1.00 0.00 C ATOM 0 H LEU A 10 -7.473 -3.788 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.335 -3.394 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.437 -2.742 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.923 -2.918 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.978 -0.994 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.030 0.775 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.831 -0.491 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.055 -0.444 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.958 0.221 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.942 -1.020 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.977 -1.450 -3.705 1.00 0.00 H new ATOM 153 N CYS A 11 -6.037 -5.815 -1.430 1.00 0.00 N ATOM 154 CA CYS A 11 -5.720 -7.191 -1.065 1.00 0.00 C ATOM 155 C CYS A 11 -6.903 -8.113 -1.343 1.00 0.00 C ATOM 156 O CYS A 11 -6.883 -9.292 -0.988 1.00 0.00 O ATOM 157 CB CYS A 11 -5.333 -7.272 0.412 1.00 0.00 C ATOM 158 SG CYS A 11 -6.648 -6.744 1.556 1.00 0.00 S ATOM 0 H CYS A 11 -6.965 -5.506 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.876 -7.517 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.052 -8.299 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.451 -6.654 0.580 1.00 0.00 H new ATOM 163 N LEU A 12 -7.933 -7.569 -1.983 1.00 0.00 N ATOM 164 CA LEU A 12 -9.126 -8.343 -2.310 1.00 0.00 C ATOM 165 C LEU A 12 -9.421 -9.374 -1.225 1.00 0.00 C ATOM 166 O LEU A 12 -9.630 -10.552 -1.514 1.00 0.00 O ATOM 167 CB LEU A 12 -8.951 -9.041 -3.659 1.00 0.00 C ATOM 168 CG LEU A 12 -8.821 -8.126 -4.877 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.237 -8.887 -6.058 1.00 0.00 C ATOM 170 CD2 LEU A 12 -10.172 -7.528 -5.242 1.00 0.00 C ATOM 0 H LEU A 12 -7.966 -6.595 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.970 -7.655 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.063 -9.671 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.803 -9.703 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.142 -7.312 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.152 -8.219 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.250 -9.266 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.890 -9.722 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.060 -6.880 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.874 -8.329 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.551 -6.946 -4.402 1.00 0.00 H new ATOM 182 N GLY A 13 -9.437 -8.922 0.025 1.00 0.00 N ATOM 183 CA GLY A 13 -9.709 -9.818 1.135 1.00 0.00 C ATOM 184 C GLY A 13 -11.084 -9.599 1.732 1.00 0.00 C ATOM 185 O GLY A 13 -11.926 -8.926 1.138 1.00 0.00 O ATOM 0 H GLY A 13 -9.267 -7.952 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.624 -10.850 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.954 -9.674 1.908 1.00 0.00 H new ATOM 189 N GLU A 14 -11.313 -10.171 2.910 1.00 0.00 N ATOM 190 CA GLU A 14 -12.598 -10.036 3.587 1.00 0.00 C ATOM 191 C GLU A 14 -12.414 -9.495 5.002 1.00 0.00 C ATOM 192 O GLU A 14 -11.851 -10.168 5.867 1.00 0.00 O ATOM 193 CB GLU A 14 -13.319 -11.384 3.634 1.00 0.00 C ATOM 194 CG GLU A 14 -12.954 -12.310 2.486 1.00 0.00 C ATOM 195 CD GLU A 14 -13.424 -13.734 2.712 1.00 0.00 C ATOM 196 OE1 GLU A 14 -14.532 -13.911 3.259 1.00 0.00 O ATOM 197 OE2 GLU A 14 -12.684 -14.669 2.343 1.00 0.00 O ATOM 0 H GLU A 14 -10.627 -10.732 3.415 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.204 -9.328 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.086 -11.879 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.395 -11.211 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.392 -11.929 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.872 -12.306 2.351 1.00 0.00 H new ATOM 204 N TYR A 15 -12.891 -8.276 5.231 1.00 0.00 N ATOM 205 CA TYR A 15 -12.777 -7.645 6.540 1.00 0.00 C ATOM 206 C TYR A 15 -13.949 -6.704 6.795 1.00 0.00 C ATOM 207 O TYR A 15 -14.521 -6.118 5.875 1.00 0.00 O ATOM 208 CB TYR A 15 -11.459 -6.874 6.643 1.00 0.00 C ATOM 209 CG TYR A 15 -10.341 -7.471 5.818 1.00 0.00 C ATOM 210 CD1 TYR A 15 -10.105 -7.039 4.518 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.523 -8.467 6.336 1.00 0.00 C ATOM 212 CE1 TYR A 15 -9.086 -7.581 3.760 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.501 -9.014 5.585 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.286 -8.569 4.298 1.00 0.00 C ATOM 215 OH TYR A 15 -7.270 -9.112 3.546 1.00 0.00 O ATOM 0 H TYR A 15 -13.360 -7.706 4.527 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.793 -8.430 7.296 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.624 -5.845 6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.149 -6.839 7.687 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.729 -6.266 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.689 -8.820 7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.916 -7.234 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.873 -9.787 6.004 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.978 -8.462 2.873 1.00 0.00 H new ATOM 225 N PRO A 16 -14.319 -6.554 8.076 1.00 0.00 N ATOM 226 CA PRO A 16 -15.427 -5.685 8.484 1.00 0.00 C ATOM 227 C PRO A 16 -15.100 -4.206 8.302 1.00 0.00 C ATOM 228 O PRO A 16 -14.084 -3.853 7.706 1.00 0.00 O ATOM 229 CB PRO A 16 -15.609 -6.015 9.967 1.00 0.00 C ATOM 230 CG PRO A 16 -14.276 -6.513 10.410 1.00 0.00 C ATOM 231 CD PRO A 16 -13.683 -7.221 9.224 1.00 0.00 C ATOM 0 HA PRO A 16 -16.321 -5.854 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.911 -5.135 10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.382 -6.769 10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.639 -5.689 10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.375 -7.189 11.259 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.598 -7.120 9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.904 -8.288 9.241 1.00 0.00 H new ATOM 239 N VAL A 17 -15.970 -3.346 8.822 1.00 0.00 N ATOM 240 CA VAL A 17 -15.773 -1.905 8.719 1.00 0.00 C ATOM 241 C VAL A 17 -15.017 -1.366 9.929 1.00 0.00 C ATOM 242 O VAL A 17 -14.450 -0.275 9.881 1.00 0.00 O ATOM 243 CB VAL A 17 -17.117 -1.162 8.595 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.052 0.183 9.304 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.495 -0.986 7.132 1.00 0.00 C ATOM 0 H VAL A 17 -16.817 -3.622 9.318 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.185 -1.730 7.818 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.890 -1.762 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.010 0.693 9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.831 0.027 10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.268 0.793 8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.447 -0.459 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.723 -0.408 6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.586 -1.964 6.660 1.00 0.00 H new ATOM 255 N GLU A 18 -15.012 -2.139 11.009 1.00 0.00 N ATOM 256 CA GLU A 18 -14.325 -1.738 12.232 1.00 0.00 C ATOM 257 C GLU A 18 -12.858 -2.159 12.194 1.00 0.00 C ATOM 258 O GLU A 18 -12.149 -2.060 13.195 1.00 0.00 O ATOM 259 CB GLU A 18 -15.011 -2.350 13.454 1.00 0.00 C ATOM 260 CG GLU A 18 -16.310 -1.659 13.834 1.00 0.00 C ATOM 261 CD GLU A 18 -16.088 -0.443 14.713 1.00 0.00 C ATOM 262 OE1 GLU A 18 -15.006 -0.349 15.331 1.00 0.00 O ATOM 263 OE2 GLU A 18 -16.994 0.412 14.785 1.00 0.00 O ATOM 0 H GLU A 18 -15.475 -3.046 11.063 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.372 -0.651 12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.214 -3.403 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.327 -2.310 14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.835 -1.357 12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.955 -2.367 14.355 1.00 0.00 H new ATOM 270 N GLN A 19 -12.413 -2.629 11.033 1.00 0.00 N ATOM 271 CA GLN A 19 -11.032 -3.066 10.866 1.00 0.00 C ATOM 272 C GLN A 19 -10.339 -2.271 9.764 1.00 0.00 C ATOM 273 O GLN A 19 -9.116 -2.312 9.632 1.00 0.00 O ATOM 274 CB GLN A 19 -10.984 -4.560 10.540 1.00 0.00 C ATOM 275 CG GLN A 19 -10.933 -5.450 11.772 1.00 0.00 C ATOM 276 CD GLN A 19 -11.299 -6.889 11.467 1.00 0.00 C ATOM 277 OE1 GLN A 19 -12.254 -7.430 12.025 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.540 -7.518 10.577 1.00 0.00 N ATOM 0 H GLN A 19 -12.988 -2.717 10.195 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.505 -2.888 11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.861 -4.823 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.110 -4.760 9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.931 -5.417 12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.614 -5.058 12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.758 -7.031 10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.739 -8.488 10.332 1.00 0.00 H new ATOM 287 N MET A 20 -11.129 -1.549 8.976 1.00 0.00 N ATOM 288 CA MET A 20 -10.590 -0.743 7.887 1.00 0.00 C ATOM 289 C MET A 20 -10.481 0.722 8.296 1.00 0.00 C ATOM 290 O MET A 20 -10.900 1.105 9.390 1.00 0.00 O ATOM 291 CB MET A 20 -11.473 -0.873 6.644 1.00 0.00 C ATOM 292 CG MET A 20 -12.378 -2.093 6.666 1.00 0.00 C ATOM 293 SD MET A 20 -12.662 -2.778 5.023 1.00 0.00 S ATOM 294 CE MET A 20 -10.979 -3.069 4.482 1.00 0.00 C ATOM 0 H MET A 20 -12.144 -1.506 9.071 1.00 0.00 H new ATOM 0 HA MET A 20 -9.591 -1.112 7.655 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.087 0.023 6.549 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.837 -0.919 5.760 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.934 -2.858 7.302 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.335 -1.823 7.113 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.898 -4.075 4.071 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.712 -2.342 3.715 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.302 -2.967 5.330 1.00 0.00 H new ATOM 304 N THR A 21 -9.914 1.539 7.413 1.00 0.00 N ATOM 305 CA THR A 21 -9.749 2.961 7.683 1.00 0.00 C ATOM 306 C THR A 21 -10.115 3.799 6.464 1.00 0.00 C ATOM 307 O THR A 21 -9.748 3.466 5.335 1.00 0.00 O ATOM 308 CB THR A 21 -8.303 3.288 8.103 1.00 0.00 C ATOM 309 OG1 THR A 21 -8.019 2.706 9.380 1.00 0.00 O ATOM 310 CG2 THR A 21 -8.086 4.793 8.165 1.00 0.00 C ATOM 0 H THR A 21 -9.561 1.239 6.504 1.00 0.00 H new ATOM 0 HA THR A 21 -10.423 3.207 8.504 1.00 0.00 H new ATOM 0 HB THR A 21 -7.628 2.869 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.098 2.917 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.058 5.000 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.274 5.228 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.770 5.230 8.892 1.00 0.00 H new ATOM 318 N THR A 22 -10.839 4.889 6.696 1.00 0.00 N ATOM 319 CA THR A 22 -11.254 5.775 5.616 1.00 0.00 C ATOM 320 C THR A 22 -10.085 6.614 5.113 1.00 0.00 C ATOM 321 O THR A 22 -9.179 6.953 5.874 1.00 0.00 O ATOM 322 CB THR A 22 -12.389 6.715 6.064 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.613 5.981 6.186 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.572 7.855 5.075 1.00 0.00 C ATOM 0 H THR A 22 -11.150 5.180 7.623 1.00 0.00 H new ATOM 0 HA THR A 22 -11.616 5.139 4.808 1.00 0.00 H new ATOM 0 HB THR A 22 -12.120 7.137 7.032 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.329 6.585 6.473 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.379 8.505 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.648 8.429 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.820 7.449 4.094 1.00 0.00 H new ATOM 332 N ILE A 23 -10.112 6.947 3.826 1.00 0.00 N ATOM 333 CA ILE A 23 -9.055 7.749 3.222 1.00 0.00 C ATOM 334 C ILE A 23 -8.930 9.103 3.911 1.00 0.00 C ATOM 335 O ILE A 23 -8.236 9.236 4.919 1.00 0.00 O ATOM 336 CB ILE A 23 -9.306 7.971 1.719 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.116 6.662 0.949 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.376 9.048 1.181 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.862 5.910 1.335 1.00 0.00 C ATOM 0 H ILE A 23 -10.854 6.674 3.182 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.126 7.193 3.348 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.335 8.305 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.981 6.021 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.085 6.879 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.565 9.194 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.555 9.982 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.340 8.740 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.793 4.993 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.989 6.533 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.899 5.661 2.396 1.00 0.00 H new ATOM 351 N ALA A 24 -9.610 10.105 3.362 1.00 0.00 N ATOM 352 CA ALA A 24 -9.577 11.449 3.926 1.00 0.00 C ATOM 353 C ALA A 24 -10.045 12.483 2.907 1.00 0.00 C ATOM 354 O ALA A 24 -9.541 13.605 2.873 1.00 0.00 O ATOM 355 CB ALA A 24 -8.176 11.782 4.415 1.00 0.00 C ATOM 0 H ALA A 24 -10.190 10.011 2.528 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.261 11.478 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.166 12.788 4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.879 11.067 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.477 11.730 3.580 1.00 0.00 H new ATOM 361 N GLN A 25 -11.009 12.096 2.079 1.00 0.00 N ATOM 362 CA GLN A 25 -11.544 12.990 1.058 1.00 0.00 C ATOM 363 C GLN A 25 -12.588 12.280 0.204 1.00 0.00 C ATOM 364 O GLN A 25 -13.639 12.843 -0.105 1.00 0.00 O ATOM 365 CB GLN A 25 -10.414 13.517 0.170 1.00 0.00 C ATOM 366 CG GLN A 25 -10.135 14.999 0.357 1.00 0.00 C ATOM 367 CD GLN A 25 -11.397 15.838 0.343 1.00 0.00 C ATOM 368 OE1 GLN A 25 -12.127 15.866 -0.648 1.00 0.00 O ATOM 369 NE2 GLN A 25 -11.663 16.526 1.447 1.00 0.00 N ATOM 0 H GLN A 25 -11.436 11.170 2.095 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.024 13.829 1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.504 12.955 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.667 13.332 -0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.614 15.150 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.467 15.341 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.030 16.474 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.500 17.107 1.497 1.00 0.00 H new ATOM 378 N CYS A 26 -12.293 11.041 -0.174 1.00 0.00 N ATOM 379 CA CYS A 26 -13.206 10.253 -0.994 1.00 0.00 C ATOM 380 C CYS A 26 -14.106 9.382 -0.121 1.00 0.00 C ATOM 381 O CYS A 26 -15.241 9.080 -0.490 1.00 0.00 O ATOM 382 CB CYS A 26 -12.421 9.375 -1.970 1.00 0.00 C ATOM 383 SG CYS A 26 -11.398 8.101 -1.165 1.00 0.00 S ATOM 0 H CYS A 26 -11.428 10.560 0.074 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.833 10.942 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.122 8.888 -2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.778 10.011 -2.578 1.00 0.00 H new ATOM 388 N GLN A 27 -13.591 8.984 1.038 1.00 0.00 N ATOM 389 CA GLN A 27 -14.349 8.149 1.962 1.00 0.00 C ATOM 390 C GLN A 27 -14.415 6.709 1.466 1.00 0.00 C ATOM 391 O GLN A 27 -15.499 6.143 1.314 1.00 0.00 O ATOM 392 CB GLN A 27 -15.762 8.704 2.145 1.00 0.00 C ATOM 393 CG GLN A 27 -15.808 10.217 2.290 1.00 0.00 C ATOM 394 CD GLN A 27 -15.671 10.669 3.729 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.650 10.708 4.476 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.453 11.016 4.129 1.00 0.00 N ATOM 0 H GLN A 27 -12.654 9.226 1.359 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.836 8.159 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.372 8.411 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.210 8.249 3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.008 10.660 1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.749 10.589 1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.670 10.969 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.301 11.330 5.088 1.00 0.00 H new ATOM 405 N CYS A 28 -13.251 6.121 1.212 1.00 0.00 N ATOM 406 CA CYS A 28 -13.176 4.748 0.730 1.00 0.00 C ATOM 407 C CYS A 28 -12.799 3.795 1.860 1.00 0.00 C ATOM 408 O CYS A 28 -12.489 4.226 2.971 1.00 0.00 O ATOM 409 CB CYS A 28 -12.157 4.638 -0.406 1.00 0.00 C ATOM 410 SG CYS A 28 -12.736 5.315 -1.994 1.00 0.00 S ATOM 0 H CYS A 28 -12.346 6.575 1.332 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.160 4.467 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.245 5.158 -0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.895 3.589 -0.544 1.00 0.00 H new ATOM 415 N ILE A 29 -12.828 2.499 1.569 1.00 0.00 N ATOM 416 CA ILE A 29 -12.488 1.485 2.560 1.00 0.00 C ATOM 417 C ILE A 29 -11.190 0.773 2.195 1.00 0.00 C ATOM 418 O ILE A 29 -11.054 0.232 1.097 1.00 0.00 O ATOM 419 CB ILE A 29 -13.611 0.441 2.705 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.718 -0.026 4.158 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.357 -0.741 1.781 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.380 0.985 5.069 1.00 0.00 C ATOM 0 H ILE A 29 -13.084 2.126 0.655 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.360 2.003 3.511 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.556 0.903 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.282 -0.958 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.719 -0.245 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.159 -1.471 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.325 -0.395 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.405 -1.205 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.422 0.588 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.804 1.910 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.391 1.186 4.716 1.00 0.00 H new ATOM 434 N PHE A 30 -10.239 0.775 3.122 1.00 0.00 N ATOM 435 CA PHE A 30 -8.951 0.129 2.900 1.00 0.00 C ATOM 436 C PHE A 30 -8.329 -0.314 4.220 1.00 0.00 C ATOM 437 O PHE A 30 -8.073 0.504 5.104 1.00 0.00 O ATOM 438 CB PHE A 30 -8.000 1.077 2.166 1.00 0.00 C ATOM 439 CG PHE A 30 -8.462 1.438 0.784 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.986 2.693 0.519 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.373 0.522 -0.252 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.411 3.029 -0.752 1.00 0.00 C ATOM 443 CE2 PHE A 30 -8.797 0.852 -1.525 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.318 2.106 -1.775 1.00 0.00 C ATOM 0 H PHE A 30 -10.336 1.218 4.036 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.118 -0.755 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.885 1.989 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.016 0.613 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.063 3.418 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.968 -0.461 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.815 4.012 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.721 0.129 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.652 2.365 -2.769 1.00 0.00 H new ATOM 454 N CYS A 31 -8.087 -1.614 4.348 1.00 0.00 N ATOM 455 CA CYS A 31 -7.496 -2.168 5.560 1.00 0.00 C ATOM 456 C CYS A 31 -6.157 -1.500 5.866 1.00 0.00 C ATOM 457 O CYS A 31 -5.269 -1.446 5.016 1.00 0.00 O ATOM 458 CB CYS A 31 -7.303 -3.678 5.414 1.00 0.00 C ATOM 459 SG CYS A 31 -5.902 -4.150 4.351 1.00 0.00 S ATOM 0 H CYS A 31 -8.292 -2.305 3.626 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.177 -1.974 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.157 -4.112 6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.216 -4.112 5.007 1.00 0.00 H new ATOM 464 N THR A 32 -6.021 -0.992 7.087 1.00 0.00 N ATOM 465 CA THR A 32 -4.794 -0.328 7.506 1.00 0.00 C ATOM 466 C THR A 32 -3.573 -0.966 6.853 1.00 0.00 C ATOM 467 O THR A 32 -2.688 -0.270 6.353 1.00 0.00 O ATOM 468 CB THR A 32 -4.625 -0.372 9.036 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.909 -0.408 9.670 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.845 0.837 9.530 1.00 0.00 C ATOM 0 H THR A 32 -6.746 -1.028 7.803 1.00 0.00 H new ATOM 0 HA THR A 32 -4.873 0.711 7.187 1.00 0.00 H new ATOM 0 HB THR A 32 -4.068 -1.273 9.291 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.793 -0.438 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.739 0.783 10.613 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.858 0.846 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.379 1.749 9.263 1.00 0.00 H new ATOM 478 N LEU A 33 -3.531 -2.294 6.860 1.00 0.00 N ATOM 479 CA LEU A 33 -2.418 -3.026 6.267 1.00 0.00 C ATOM 480 C LEU A 33 -1.997 -2.400 4.941 1.00 0.00 C ATOM 481 O LEU A 33 -0.913 -1.828 4.828 1.00 0.00 O ATOM 482 CB LEU A 33 -2.801 -4.491 6.053 1.00 0.00 C ATOM 483 CG LEU A 33 -2.279 -5.481 7.094 1.00 0.00 C ATOM 484 CD1 LEU A 33 -0.889 -5.969 6.717 1.00 0.00 C ATOM 485 CD2 LEU A 33 -2.265 -4.844 8.476 1.00 0.00 C ATOM 0 H LEU A 33 -4.254 -2.885 7.270 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.575 -2.974 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.888 -4.561 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.439 -4.801 5.073 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.949 -6.340 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.534 -6.673 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.928 -6.464 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.207 -5.120 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.891 -5.563 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.618 -3.967 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.277 -4.545 8.749 1.00 0.00 H new ATOM 497 N CYS A 34 -2.865 -2.509 3.940 1.00 0.00 N ATOM 498 CA CYS A 34 -2.586 -1.952 2.623 1.00 0.00 C ATOM 499 C CYS A 34 -2.484 -0.431 2.685 1.00 0.00 C ATOM 500 O CYS A 34 -1.485 0.154 2.264 1.00 0.00 O ATOM 501 CB CYS A 34 -3.678 -2.362 1.631 1.00 0.00 C ATOM 502 SG CYS A 34 -4.116 -4.128 1.696 1.00 0.00 S ATOM 0 H CYS A 34 -3.767 -2.978 4.017 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.629 -2.348 2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.572 -1.770 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.347 -2.118 0.622 1.00 0.00 H new ATOM 507 N LEU A 35 -3.524 0.204 3.213 1.00 0.00 N ATOM 508 CA LEU A 35 -3.553 1.658 3.332 1.00 0.00 C ATOM 509 C LEU A 35 -2.332 2.167 4.091 1.00 0.00 C ATOM 510 O LEU A 35 -2.030 3.361 4.074 1.00 0.00 O ATOM 511 CB LEU A 35 -4.832 2.106 4.042 1.00 0.00 C ATOM 512 CG LEU A 35 -5.214 3.577 3.872 1.00 0.00 C ATOM 513 CD1 LEU A 35 -4.501 4.436 4.903 1.00 0.00 C ATOM 514 CD2 LEU A 35 -4.890 4.053 2.463 1.00 0.00 C ATOM 0 H LEU A 35 -4.359 -0.265 3.566 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.535 2.080 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.658 1.493 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.724 1.900 5.107 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.288 3.674 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.785 5.479 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.783 4.111 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.423 4.334 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.168 5.102 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.822 3.941 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.448 3.457 1.740 1.00 0.00 H new ATOM 526 N LYS A 36 -1.631 1.253 4.753 1.00 0.00 N ATOM 527 CA LYS A 36 -0.440 1.608 5.516 1.00 0.00 C ATOM 528 C LYS A 36 0.816 1.469 4.660 1.00 0.00 C ATOM 529 O LYS A 36 1.429 2.465 4.278 1.00 0.00 O ATOM 530 CB LYS A 36 -0.323 0.722 6.759 1.00 0.00 C ATOM 531 CG LYS A 36 0.996 0.879 7.496 1.00 0.00 C ATOM 532 CD LYS A 36 1.466 -0.439 8.086 1.00 0.00 C ATOM 533 CE LYS A 36 0.553 -0.904 9.209 1.00 0.00 C ATOM 534 NZ LYS A 36 0.879 -0.236 10.500 1.00 0.00 N ATOM 0 H LYS A 36 -1.867 0.261 4.777 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.534 2.649 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.141 0.957 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.443 -0.321 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.753 1.262 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.884 1.615 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.498 -1.198 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.482 -0.328 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.484 -0.696 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.642 -1.984 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.235 -0.579 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.860 -0.455 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.770 0.793 10.396 1.00 0.00 H new ATOM 548 N GLN A 37 1.189 0.229 4.363 1.00 0.00 N ATOM 549 CA GLN A 37 2.371 -0.039 3.552 1.00 0.00 C ATOM 550 C GLN A 37 2.426 0.894 2.348 1.00 0.00 C ATOM 551 O GLN A 37 3.493 1.126 1.778 1.00 0.00 O ATOM 552 CB GLN A 37 2.376 -1.495 3.084 1.00 0.00 C ATOM 553 CG GLN A 37 3.698 -2.206 3.319 1.00 0.00 C ATOM 554 CD GLN A 37 3.646 -3.675 2.948 1.00 0.00 C ATOM 555 OE1 GLN A 37 4.392 -4.136 2.084 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.760 -4.420 3.601 1.00 0.00 N ATOM 0 H GLN A 37 0.690 -0.606 4.671 1.00 0.00 H new ATOM 0 HA GLN A 37 3.252 0.139 4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.585 -2.037 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.140 -1.527 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.478 -1.716 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.976 -2.110 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.161 -3.996 4.310 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.679 -5.415 3.393 1.00 0.00 H new ATOM 565 N TYR A 38 1.271 1.426 1.964 1.00 0.00 N ATOM 566 CA TYR A 38 1.188 2.333 0.825 1.00 0.00 C ATOM 567 C TYR A 38 1.511 3.764 1.242 1.00 0.00 C ATOM 568 O TYR A 38 2.533 4.325 0.844 1.00 0.00 O ATOM 569 CB TYR A 38 -0.207 2.275 0.200 1.00 0.00 C ATOM 570 CG TYR A 38 -0.816 3.636 -0.049 1.00 0.00 C ATOM 571 CD1 TYR A 38 -0.112 4.618 -0.734 1.00 0.00 C ATOM 572 CD2 TYR A 38 -2.095 3.939 0.402 1.00 0.00 C ATOM 573 CE1 TYR A 38 -0.665 5.864 -0.965 1.00 0.00 C ATOM 574 CE2 TYR A 38 -2.655 5.182 0.176 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.936 6.140 -0.507 1.00 0.00 C ATOM 576 OH TYR A 38 -2.491 7.380 -0.734 1.00 0.00 O ATOM 0 H TYR A 38 0.379 1.245 2.425 1.00 0.00 H new ATOM 0 HA TYR A 38 1.924 2.015 0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.151 1.733 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.866 1.706 0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.884 4.405 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.661 3.191 0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.105 6.616 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.650 5.402 0.532 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.533 7.548 -1.699 1.00 0.00 H new ATOM 586 N VAL A 39 0.633 4.351 2.049 1.00 0.00 N ATOM 587 CA VAL A 39 0.823 5.717 2.524 1.00 0.00 C ATOM 588 C VAL A 39 2.158 5.865 3.246 1.00 0.00 C ATOM 589 O VAL A 39 2.933 6.775 2.955 1.00 0.00 O ATOM 590 CB VAL A 39 -0.312 6.144 3.472 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.667 5.927 2.816 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.221 5.387 4.788 1.00 0.00 C ATOM 0 H VAL A 39 -0.218 3.902 2.388 1.00 0.00 H new ATOM 0 HA VAL A 39 0.814 6.363 1.646 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.203 7.208 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.457 6.235 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.728 6.519 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.789 4.871 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.031 5.702 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.303 4.317 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.736 5.599 5.264 1.00 0.00 H new ATOM 602 N GLU A 40 2.417 4.966 4.190 1.00 0.00 N ATOM 603 CA GLU A 40 3.659 4.999 4.955 1.00 0.00 C ATOM 604 C GLU A 40 4.819 5.481 4.089 1.00 0.00 C ATOM 605 O GLU A 40 5.327 6.589 4.273 1.00 0.00 O ATOM 606 CB GLU A 40 3.973 3.611 5.520 1.00 0.00 C ATOM 607 CG GLU A 40 3.497 3.414 6.949 1.00 0.00 C ATOM 608 CD GLU A 40 2.181 4.115 7.227 1.00 0.00 C ATOM 609 OE1 GLU A 40 2.207 5.326 7.528 1.00 0.00 O ATOM 610 OE2 GLU A 40 1.126 3.452 7.143 1.00 0.00 O ATOM 0 H GLU A 40 1.785 4.207 4.444 1.00 0.00 H new ATOM 0 HA GLU A 40 3.529 5.699 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.510 2.856 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.050 3.446 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.386 2.348 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.256 3.788 7.636 1.00 0.00 H new ATOM 617 N LEU A 41 5.233 4.643 3.145 1.00 0.00 N ATOM 618 CA LEU A 41 6.333 4.984 2.250 1.00 0.00 C ATOM 619 C LEU A 41 6.210 6.423 1.757 1.00 0.00 C ATOM 620 O LEU A 41 7.015 7.284 2.117 1.00 0.00 O ATOM 621 CB LEU A 41 6.361 4.026 1.057 1.00 0.00 C ATOM 622 CG LEU A 41 7.256 2.794 1.206 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.408 2.420 2.672 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.691 1.626 0.411 1.00 0.00 C ATOM 0 H LEU A 41 4.824 3.723 2.980 1.00 0.00 H new ATOM 0 HA LEU A 41 7.265 4.889 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.343 3.689 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.686 4.582 0.178 1.00 0.00 H new ATOM 0 HG LEU A 41 8.242 3.034 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.048 1.542 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.857 3.251 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.428 2.198 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.340 0.758 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.693 1.385 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.634 1.897 -0.643 1.00 0.00 H new ATOM 636 N LEU A 42 5.199 6.677 0.935 1.00 0.00 N ATOM 637 CA LEU A 42 4.969 8.012 0.395 1.00 0.00 C ATOM 638 C LEU A 42 4.990 9.059 1.504 1.00 0.00 C ATOM 639 O LEU A 42 5.920 9.860 1.597 1.00 0.00 O ATOM 640 CB LEU A 42 3.630 8.062 -0.343 1.00 0.00 C ATOM 641 CG LEU A 42 3.586 7.360 -1.702 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.148 7.139 -2.142 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.347 8.168 -2.743 1.00 0.00 C ATOM 0 H LEU A 42 4.525 5.976 0.627 1.00 0.00 H new ATOM 0 HA LEU A 42 5.772 8.236 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.868 7.618 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.356 9.107 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 42 4.067 6.387 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.137 6.639 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.634 6.519 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.641 8.100 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.306 7.655 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.895 9.155 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.386 8.274 -2.433 1.00 0.00 H new ATOM 655 N ILE A 43 3.960 9.044 2.344 1.00 0.00 N ATOM 656 CA ILE A 43 3.862 9.990 3.449 1.00 0.00 C ATOM 657 C ILE A 43 5.229 10.245 4.076 1.00 0.00 C ATOM 658 O ILE A 43 5.486 11.323 4.612 1.00 0.00 O ATOM 659 CB ILE A 43 2.896 9.486 4.537 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.776 10.503 4.765 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.649 9.220 5.833 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.504 10.181 4.010 1.00 0.00 C ATOM 0 H ILE A 43 3.182 8.387 2.280 1.00 0.00 H new ATOM 0 HA ILE A 43 3.475 10.921 3.035 1.00 0.00 H new ATOM 0 HB ILE A 43 2.450 8.550 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.553 10.553 5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.127 11.491 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.952 8.864 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.415 8.464 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.120 10.141 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.246 10.944 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.711 10.159 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.129 9.208 4.327 1.00 0.00 H new ATOM 674 N LYS A 44 6.102 9.247 4.004 1.00 0.00 N ATOM 675 CA LYS A 44 7.445 9.363 4.562 1.00 0.00 C ATOM 676 C LYS A 44 8.337 10.208 3.661 1.00 0.00 C ATOM 677 O LYS A 44 9.071 11.074 4.137 1.00 0.00 O ATOM 678 CB LYS A 44 8.062 7.974 4.751 1.00 0.00 C ATOM 679 CG LYS A 44 8.240 7.581 6.208 1.00 0.00 C ATOM 680 CD LYS A 44 6.927 7.657 6.970 1.00 0.00 C ATOM 681 CE LYS A 44 6.234 6.303 7.022 1.00 0.00 C ATOM 682 NZ LYS A 44 6.546 5.569 8.279 1.00 0.00 N ATOM 0 H LYS A 44 5.904 8.348 3.565 1.00 0.00 H new ATOM 0 HA LYS A 44 7.368 9.855 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.430 7.235 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.032 7.946 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.638 6.568 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.972 8.239 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.113 8.011 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.270 8.385 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.156 6.443 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.543 5.704 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.184 4.596 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.576 5.546 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.096 6.051 9.083 1.00 0.00 H new ATOM 696 N GLU A 45 8.268 9.953 2.358 1.00 0.00 N ATOM 697 CA GLU A 45 9.070 10.694 1.391 1.00 0.00 C ATOM 698 C GLU A 45 8.489 12.084 1.154 1.00 0.00 C ATOM 699 O GLU A 45 9.198 13.087 1.235 1.00 0.00 O ATOM 700 CB GLU A 45 9.149 9.929 0.068 1.00 0.00 C ATOM 701 CG GLU A 45 10.507 10.017 -0.606 1.00 0.00 C ATOM 702 CD GLU A 45 11.174 11.363 -0.402 1.00 0.00 C ATOM 703 OE1 GLU A 45 12.026 11.472 0.505 1.00 0.00 O ATOM 704 OE2 GLU A 45 10.844 12.308 -1.149 1.00 0.00 O ATOM 0 H GLU A 45 7.665 9.239 1.948 1.00 0.00 H new ATOM 0 HA GLU A 45 10.075 10.804 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.910 8.881 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.390 10.316 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.154 9.232 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.391 9.831 -1.674 1.00 0.00 H new ATOM 711 N GLY A 46 7.194 12.136 0.858 1.00 0.00 N ATOM 712 CA GLY A 46 6.540 13.409 0.613 1.00 0.00 C ATOM 713 C GLY A 46 7.223 14.212 -0.475 1.00 0.00 C ATOM 714 O GLY A 46 7.581 15.372 -0.268 1.00 0.00 O ATOM 0 H GLY A 46 6.586 11.320 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.502 13.232 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.526 13.990 1.535 1.00 0.00 H new ATOM 718 N LEU A 47 7.408 13.595 -1.637 1.00 0.00 N ATOM 719 CA LEU A 47 8.057 14.261 -2.762 1.00 0.00 C ATOM 720 C LEU A 47 7.045 15.058 -3.579 1.00 0.00 C ATOM 721 O LEU A 47 7.371 16.109 -4.131 1.00 0.00 O ATOM 722 CB LEU A 47 8.753 13.232 -3.656 1.00 0.00 C ATOM 723 CG LEU A 47 7.919 12.014 -4.053 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.263 11.568 -5.466 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.133 10.875 -3.066 1.00 0.00 C ATOM 0 H LEU A 47 7.118 12.635 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 47 8.801 14.951 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.082 13.734 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.649 12.882 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 47 6.866 12.296 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.659 10.700 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.057 12.380 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.319 11.304 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.531 10.017 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.186 10.594 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.835 11.197 -2.068 1.00 0.00 H new ATOM 737 N GLU A 48 5.818 14.553 -3.649 1.00 0.00 N ATOM 738 CA GLU A 48 4.759 15.221 -4.397 1.00 0.00 C ATOM 739 C GLU A 48 3.555 14.301 -4.574 1.00 0.00 C ATOM 740 O GLU A 48 2.428 14.760 -4.761 1.00 0.00 O ATOM 741 CB GLU A 48 5.276 15.672 -5.764 1.00 0.00 C ATOM 742 CG GLU A 48 6.172 14.649 -6.444 1.00 0.00 C ATOM 743 CD GLU A 48 7.350 15.285 -7.154 1.00 0.00 C ATOM 744 OE1 GLU A 48 8.502 14.931 -6.826 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.121 16.137 -8.037 1.00 0.00 O ATOM 0 H GLU A 48 5.532 13.684 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 48 4.445 16.097 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.426 15.886 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.828 16.604 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.540 13.942 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.584 14.078 -7.163 1.00 0.00 H new ATOM 752 N THR A 49 3.801 12.995 -4.516 1.00 0.00 N ATOM 753 CA THR A 49 2.740 12.009 -4.672 1.00 0.00 C ATOM 754 C THR A 49 1.455 12.473 -3.995 1.00 0.00 C ATOM 755 O THR A 49 0.357 12.089 -4.397 1.00 0.00 O ATOM 756 CB THR A 49 3.151 10.644 -4.089 1.00 0.00 C ATOM 757 OG1 THR A 49 4.401 10.228 -4.649 1.00 0.00 O ATOM 758 CG2 THR A 49 2.087 9.592 -4.371 1.00 0.00 C ATOM 0 H THR A 49 4.727 12.596 -4.362 1.00 0.00 H new ATOM 0 HA THR A 49 2.565 11.900 -5.742 1.00 0.00 H new ATOM 0 HB THR A 49 3.256 10.752 -3.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.254 9.465 -5.247 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.399 8.636 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.144 9.898 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.955 9.488 -5.448 1.00 0.00 H new ATOM 766 N ALA A 50 1.600 13.299 -2.965 1.00 0.00 N ATOM 767 CA ALA A 50 0.450 13.818 -2.233 1.00 0.00 C ATOM 768 C ALA A 50 -0.381 12.683 -1.643 1.00 0.00 C ATOM 769 O ALA A 50 -1.494 12.902 -1.162 1.00 0.00 O ATOM 770 CB ALA A 50 -0.408 14.684 -3.144 1.00 0.00 C ATOM 0 H ALA A 50 2.502 13.624 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 50 0.819 14.430 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.263 15.065 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.185 15.520 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.761 14.088 -3.986 1.00 0.00 H new ATOM 776 N ILE A 51 0.164 11.472 -1.684 1.00 0.00 N ATOM 777 CA ILE A 51 -0.527 10.305 -1.152 1.00 0.00 C ATOM 778 C ILE A 51 -2.021 10.368 -1.450 1.00 0.00 C ATOM 779 O ILE A 51 -2.805 10.864 -0.641 1.00 0.00 O ATOM 780 CB ILE A 51 -0.324 10.174 0.368 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.156 9.952 0.690 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.168 9.035 0.920 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.045 11.100 0.267 1.00 0.00 C ATOM 0 H ILE A 51 1.083 11.274 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.097 9.433 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.645 11.101 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.266 9.794 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.494 9.041 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.013 8.956 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.221 9.232 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.876 8.100 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.079 10.874 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.964 11.245 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.733 12.010 0.780 1.00 0.00 H new ATOM 795 N SER A 52 -2.408 9.861 -2.616 1.00 0.00 N ATOM 796 CA SER A 52 -3.809 9.861 -3.023 1.00 0.00 C ATOM 797 C SER A 52 -4.417 8.469 -2.877 1.00 0.00 C ATOM 798 O SER A 52 -3.703 7.466 -2.854 1.00 0.00 O ATOM 799 CB SER A 52 -3.942 10.338 -4.470 1.00 0.00 C ATOM 800 OG SER A 52 -2.692 10.772 -4.981 1.00 0.00 O ATOM 0 H SER A 52 -1.771 9.445 -3.296 1.00 0.00 H new ATOM 0 HA SER A 52 -4.351 10.546 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.330 9.529 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.663 11.154 -4.523 1.00 0.00 H new ATOM 0 HG SER A 52 -2.803 11.071 -5.908 1.00 0.00 H new ATOM 806 N CYS A 53 -5.741 8.416 -2.777 1.00 0.00 N ATOM 807 CA CYS A 53 -6.448 7.150 -2.633 1.00 0.00 C ATOM 808 C CYS A 53 -5.730 6.037 -3.391 1.00 0.00 C ATOM 809 O CYS A 53 -5.302 6.205 -4.533 1.00 0.00 O ATOM 810 CB CYS A 53 -7.886 7.283 -3.141 1.00 0.00 C ATOM 811 SG CYS A 53 -8.882 5.769 -2.960 1.00 0.00 S ATOM 0 H CYS A 53 -6.346 9.237 -2.793 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.467 6.892 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.376 8.094 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.863 7.566 -4.193 1.00 0.00 H new ATOM 816 N PRO A 54 -5.595 4.871 -2.742 1.00 0.00 N ATOM 817 CA PRO A 54 -4.931 3.707 -3.336 1.00 0.00 C ATOM 818 C PRO A 54 -5.742 3.093 -4.472 1.00 0.00 C ATOM 819 O PRO A 54 -5.330 2.104 -5.077 1.00 0.00 O ATOM 820 CB PRO A 54 -4.822 2.726 -2.166 1.00 0.00 C ATOM 821 CG PRO A 54 -5.928 3.110 -1.246 1.00 0.00 C ATOM 822 CD PRO A 54 -6.081 4.599 -1.380 1.00 0.00 C ATOM 0 HA PRO A 54 -3.971 3.969 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.927 1.695 -2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.853 2.803 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.852 2.597 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.694 2.833 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.118 4.909 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.496 5.132 -0.631 1.00 0.00 H new ATOM 830 N ASP A 55 -6.896 3.686 -4.757 1.00 0.00 N ATOM 831 CA ASP A 55 -7.764 3.198 -5.821 1.00 0.00 C ATOM 832 C ASP A 55 -7.123 3.417 -7.188 1.00 0.00 C ATOM 833 O ASP A 55 -6.181 4.196 -7.325 1.00 0.00 O ATOM 834 CB ASP A 55 -9.122 3.900 -5.763 1.00 0.00 C ATOM 835 CG ASP A 55 -10.185 3.172 -6.562 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.224 3.793 -6.872 1.00 0.00 O ATOM 837 OD2 ASP A 55 -9.977 1.983 -6.880 1.00 0.00 O ATOM 0 H ASP A 55 -7.252 4.506 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.910 2.128 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.443 3.979 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.019 4.916 -6.143 1.00 0.00 H new ATOM 842 N ALA A 56 -7.640 2.722 -8.197 1.00 0.00 N ATOM 843 CA ALA A 56 -7.120 2.840 -9.552 1.00 0.00 C ATOM 844 C ALA A 56 -8.034 3.699 -10.419 1.00 0.00 C ATOM 845 O ALA A 56 -8.014 3.601 -11.646 1.00 0.00 O ATOM 846 CB ALA A 56 -6.942 1.463 -10.172 1.00 0.00 C ATOM 0 H ALA A 56 -8.419 2.071 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.148 3.330 -9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.553 1.568 -11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.242 0.882 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.904 0.951 -10.204 1.00 0.00 H new ATOM 852 N ALA A 57 -8.837 4.538 -9.773 1.00 0.00 N ATOM 853 CA ALA A 57 -9.759 5.414 -10.486 1.00 0.00 C ATOM 854 C ALA A 57 -10.847 5.939 -9.556 1.00 0.00 C ATOM 855 O ALA A 57 -12.016 6.025 -9.937 1.00 0.00 O ATOM 856 CB ALA A 57 -10.379 4.681 -11.666 1.00 0.00 C ATOM 0 H ALA A 57 -8.868 4.630 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.194 6.268 -10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.065 5.348 -12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.593 4.361 -12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.924 3.808 -11.306 1.00 0.00 H new ATOM 862 N CYS A 58 -10.458 6.288 -8.335 1.00 0.00 N ATOM 863 CA CYS A 58 -11.401 6.804 -7.349 1.00 0.00 C ATOM 864 C CYS A 58 -12.284 7.889 -7.957 1.00 0.00 C ATOM 865 O CYS A 58 -11.816 8.785 -8.658 1.00 0.00 O ATOM 866 CB CYS A 58 -10.650 7.360 -6.138 1.00 0.00 C ATOM 867 SG CYS A 58 -11.733 7.905 -4.778 1.00 0.00 S ATOM 0 H CYS A 58 -9.495 6.223 -8.004 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.039 5.981 -7.026 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.970 6.595 -5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.036 8.202 -6.459 1.00 0.00 H new ATOM 872 N PRO A 59 -13.594 7.808 -7.681 1.00 0.00 N ATOM 873 CA PRO A 59 -14.572 8.775 -8.190 1.00 0.00 C ATOM 874 C PRO A 59 -14.421 10.146 -7.542 1.00 0.00 C ATOM 875 O PRO A 59 -15.005 11.129 -8.001 1.00 0.00 O ATOM 876 CB PRO A 59 -15.918 8.151 -7.813 1.00 0.00 C ATOM 877 CG PRO A 59 -15.618 7.285 -6.638 1.00 0.00 C ATOM 878 CD PRO A 59 -14.223 6.766 -6.851 1.00 0.00 C ATOM 0 HA PRO A 59 -14.453 8.951 -9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.653 8.916 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.330 7.570 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.686 7.851 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.332 6.465 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.696 6.632 -5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.226 5.799 -7.354 1.00 0.00 H new ATOM 886 N LYS A 60 -13.633 10.209 -6.474 1.00 0.00 N ATOM 887 CA LYS A 60 -13.403 11.460 -5.764 1.00 0.00 C ATOM 888 C LYS A 60 -11.909 11.729 -5.604 1.00 0.00 C ATOM 889 O LYS A 60 -11.508 12.808 -5.170 1.00 0.00 O ATOM 890 CB LYS A 60 -14.075 11.422 -4.389 1.00 0.00 C ATOM 891 CG LYS A 60 -15.569 11.160 -4.450 1.00 0.00 C ATOM 892 CD LYS A 60 -16.218 11.311 -3.085 1.00 0.00 C ATOM 893 CE LYS A 60 -17.479 12.158 -3.157 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.351 11.958 -1.966 1.00 0.00 N ATOM 0 H LYS A 60 -13.142 9.406 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.839 12.267 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.603 10.647 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.901 12.371 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.032 11.853 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.748 10.154 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.462 10.326 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.510 11.768 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.206 13.210 -3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.035 11.906 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.200 12.553 -2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.633 10.959 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.830 12.223 -1.106 1.00 0.00 H new ATOM 908 N GLN A 61 -11.094 10.741 -5.958 1.00 0.00 N ATOM 909 CA GLN A 61 -9.646 10.872 -5.853 1.00 0.00 C ATOM 910 C GLN A 61 -9.261 11.711 -4.639 1.00 0.00 C ATOM 911 O GLN A 61 -8.724 12.810 -4.776 1.00 0.00 O ATOM 912 CB GLN A 61 -9.077 11.503 -7.125 1.00 0.00 C ATOM 913 CG GLN A 61 -9.221 10.624 -8.358 1.00 0.00 C ATOM 914 CD GLN A 61 -7.895 10.362 -9.045 1.00 0.00 C ATOM 915 OE1 GLN A 61 -7.177 9.424 -8.698 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.562 11.193 -10.027 1.00 0.00 N ATOM 0 H GLN A 61 -11.411 9.842 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.224 9.874 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.580 12.453 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.021 11.726 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.672 9.674 -8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.903 11.101 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.187 11.958 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.681 11.066 -10.526 1.00 0.00 H new ATOM 925 N GLY A 62 -9.540 11.187 -3.450 1.00 0.00 N ATOM 926 CA GLY A 62 -9.217 11.901 -2.229 1.00 0.00 C ATOM 927 C GLY A 62 -7.763 11.743 -1.833 1.00 0.00 C ATOM 928 O GLY A 62 -7.164 10.689 -2.047 1.00 0.00 O ATOM 0 H GLY A 62 -9.985 10.280 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.442 12.959 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.852 11.538 -1.421 1.00 0.00 H new ATOM 932 N HIS A 63 -7.192 12.794 -1.254 1.00 0.00 N ATOM 933 CA HIS A 63 -5.796 12.768 -0.828 1.00 0.00 C ATOM 934 C HIS A 63 -5.692 12.523 0.674 1.00 0.00 C ATOM 935 O HIS A 63 -6.658 12.718 1.414 1.00 0.00 O ATOM 936 CB HIS A 63 -5.105 14.083 -1.191 1.00 0.00 C ATOM 937 CG HIS A 63 -4.782 14.206 -2.648 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.288 15.209 -3.450 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.996 13.448 -3.448 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.828 15.060 -4.679 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.042 13.999 -4.705 1.00 0.00 N ATOM 0 H HIS A 63 -7.673 13.674 -1.069 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.298 11.950 -1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.746 14.914 -0.898 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.184 14.172 -0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.437 12.573 -3.153 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.056 15.698 -5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.549 13.646 -5.525 1.00 0.00 H new ATOM 949 N LEU A 64 -4.516 12.095 1.119 1.00 0.00 N ATOM 950 CA LEU A 64 -4.285 11.822 2.533 1.00 0.00 C ATOM 951 C LEU A 64 -3.408 12.902 3.159 1.00 0.00 C ATOM 952 O LEU A 64 -2.750 13.666 2.454 1.00 0.00 O ATOM 953 CB LEU A 64 -3.630 10.451 2.708 1.00 0.00 C ATOM 954 CG LEU A 64 -4.514 9.241 2.403 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.497 8.998 3.539 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.255 9.439 1.089 1.00 0.00 C ATOM 0 H LEU A 64 -3.707 11.929 0.520 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.250 11.823 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.752 10.405 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.277 10.368 3.736 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.875 8.363 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.118 8.133 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.948 8.811 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.131 9.876 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.879 8.568 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.883 10.328 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.535 9.563 0.280 1.00 0.00 H new ATOM 968 N GLN A 65 -3.402 12.955 4.487 1.00 0.00 N ATOM 969 CA GLN A 65 -2.604 13.939 5.208 1.00 0.00 C ATOM 970 C GLN A 65 -1.206 13.401 5.496 1.00 0.00 C ATOM 971 O GLN A 65 -0.986 12.191 5.497 1.00 0.00 O ATOM 972 CB GLN A 65 -3.293 14.327 6.518 1.00 0.00 C ATOM 973 CG GLN A 65 -4.731 13.843 6.614 1.00 0.00 C ATOM 974 CD GLN A 65 -4.832 12.401 7.070 1.00 0.00 C ATOM 975 OE1 GLN A 65 -5.868 11.970 7.580 1.00 0.00 O ATOM 976 NE2 GLN A 65 -3.756 11.646 6.888 1.00 0.00 N ATOM 0 H GLN A 65 -3.941 12.328 5.085 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.511 14.824 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.724 13.919 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.276 15.412 6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.279 14.479 7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.211 13.947 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.920 12.045 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.765 10.667 7.174 1.00 0.00 H new ATOM 985 N GLU A 66 -0.266 14.310 5.739 1.00 0.00 N ATOM 986 CA GLU A 66 1.111 13.925 6.027 1.00 0.00 C ATOM 987 C GLU A 66 1.328 13.766 7.528 1.00 0.00 C ATOM 988 O GLU A 66 2.208 13.022 7.963 1.00 0.00 O ATOM 989 CB GLU A 66 2.082 14.967 5.468 1.00 0.00 C ATOM 990 CG GLU A 66 2.523 14.684 4.042 1.00 0.00 C ATOM 991 CD GLU A 66 2.715 15.950 3.228 1.00 0.00 C ATOM 992 OE1 GLU A 66 3.423 16.860 3.707 1.00 0.00 O ATOM 993 OE2 GLU A 66 2.157 16.029 2.114 1.00 0.00 O ATOM 0 H GLU A 66 -0.433 15.316 5.742 1.00 0.00 H new ATOM 0 HA GLU A 66 1.302 12.966 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.610 15.949 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.962 15.012 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.457 14.123 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.780 14.052 3.555 1.00 0.00 H new ATOM 1000 N ASN A 67 0.521 14.468 8.316 1.00 0.00 N ATOM 1001 CA ASN A 67 0.625 14.406 9.769 1.00 0.00 C ATOM 1002 C ASN A 67 -0.266 13.302 10.331 1.00 0.00 C ATOM 1003 O ASN A 67 0.172 12.495 11.151 1.00 0.00 O ATOM 1004 CB ASN A 67 0.241 15.751 10.387 1.00 0.00 C ATOM 1005 CG ASN A 67 0.930 15.995 11.716 1.00 0.00 C ATOM 1006 OD1 ASN A 67 2.129 16.272 11.764 1.00 0.00 O ATOM 1007 ND2 ASN A 67 0.175 15.894 12.803 1.00 0.00 N ATOM 0 H ASN A 67 -0.213 15.087 7.972 1.00 0.00 H new ATOM 0 HA ASN A 67 1.660 14.179 10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.499 16.553 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.839 15.787 10.529 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.584 16.048 13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.815 15.662 12.717 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.517 13.274 9.884 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.469 12.269 10.343 1.00 0.00 C ATOM 1016 C GLU A 68 -1.955 10.861 10.056 1.00 0.00 C ATOM 1017 O GLU A 68 -1.657 10.098 10.976 1.00 0.00 O ATOM 1018 CB GLU A 68 -3.827 12.475 9.669 1.00 0.00 C ATOM 1019 CG GLU A 68 -4.944 12.814 10.641 1.00 0.00 C ATOM 1020 CD GLU A 68 -5.872 11.642 10.896 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -6.778 11.412 10.068 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -5.691 10.954 11.922 1.00 0.00 O ATOM 0 H GLU A 68 -1.895 13.935 9.205 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.586 12.382 11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.741 13.276 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.094 11.570 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.511 13.142 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.521 13.651 10.248 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.855 10.524 8.774 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.377 9.208 8.367 1.00 0.00 C ATOM 1031 C ILE A 69 -0.160 8.787 9.184 1.00 0.00 C ATOM 1032 O ILE A 69 -0.193 7.777 9.887 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.009 9.183 6.871 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.271 9.287 6.011 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.238 7.914 6.537 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.252 8.383 4.799 1.00 0.00 C ATOM 0 H ILE A 69 -2.098 11.143 8.001 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.192 8.507 8.546 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.372 10.041 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.139 9.042 6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.393 10.319 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.015 7.910 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.677 7.878 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.853 7.044 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.177 8.509 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.404 8.642 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.161 7.345 5.120 1.00 0.00 H new ATOM 1048 N GLU A 70 0.910 9.570 9.089 1.00 0.00 N ATOM 1049 CA GLU A 70 2.137 9.278 9.822 1.00 0.00 C ATOM 1050 C GLU A 70 1.853 9.112 11.312 1.00 0.00 C ATOM 1051 O GLU A 70 2.643 8.510 12.041 1.00 0.00 O ATOM 1052 CB GLU A 70 3.163 10.392 9.607 1.00 0.00 C ATOM 1053 CG GLU A 70 2.922 11.616 10.476 1.00 0.00 C ATOM 1054 CD GLU A 70 4.113 12.555 10.502 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.832 12.630 9.483 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.327 13.214 11.541 1.00 0.00 O ATOM 0 H GLU A 70 0.952 10.410 8.513 1.00 0.00 H new ATOM 0 HA GLU A 70 2.544 8.342 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.160 10.001 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.148 10.692 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.048 12.153 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.694 11.296 11.493 1.00 0.00 H new ATOM 1063 N CYS A 71 0.724 9.651 11.758 1.00 0.00 N ATOM 1064 CA CYS A 71 0.337 9.564 13.161 1.00 0.00 C ATOM 1065 C CYS A 71 -0.078 8.142 13.524 1.00 0.00 C ATOM 1066 O CYS A 71 0.255 7.644 14.599 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.810 10.534 13.456 1.00 0.00 C ATOM 1068 SG CYS A 71 -0.659 11.394 15.040 1.00 0.00 S ATOM 0 H CYS A 71 0.060 10.153 11.168 1.00 0.00 H new ATOM 0 HA CYS A 71 1.200 9.837 13.768 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.861 11.273 12.657 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.750 9.983 13.442 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.673 12.192 15.199 1.00 0.00 H new ATOM 1074 N MET A 72 -0.808 7.495 12.621 1.00 0.00 N ATOM 1075 CA MET A 72 -1.267 6.131 12.847 1.00 0.00 C ATOM 1076 C MET A 72 -0.138 5.130 12.615 1.00 0.00 C ATOM 1077 O MET A 72 -0.361 3.920 12.599 1.00 0.00 O ATOM 1078 CB MET A 72 -2.446 5.808 11.928 1.00 0.00 C ATOM 1079 CG MET A 72 -2.028 5.262 10.572 1.00 0.00 C ATOM 1080 SD MET A 72 -2.954 5.999 9.211 1.00 0.00 S ATOM 1081 CE MET A 72 -2.552 4.871 7.878 1.00 0.00 C ATOM 0 H MET A 72 -1.094 7.894 11.727 1.00 0.00 H new ATOM 0 HA MET A 72 -1.591 6.052 13.885 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.091 5.080 12.420 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.039 6.711 11.780 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.964 5.445 10.423 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.170 4.181 10.560 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.738 5.358 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.501 4.590 7.944 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.172 3.978 7.957 1.00 0.00 H new ATOM 1091 N VAL A 73 1.074 5.645 12.436 1.00 0.00 N ATOM 1092 CA VAL A 73 2.238 4.797 12.206 1.00 0.00 C ATOM 1093 C VAL A 73 3.437 5.278 13.015 1.00 0.00 C ATOM 1094 O VAL A 73 3.888 4.601 13.938 1.00 0.00 O ATOM 1095 CB VAL A 73 2.620 4.762 10.715 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.996 3.554 10.031 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.198 6.051 10.025 1.00 0.00 C ATOM 0 H VAL A 73 1.276 6.645 12.446 1.00 0.00 H new ATOM 0 HA VAL A 73 1.966 3.792 12.528 1.00 0.00 H new ATOM 0 HB VAL A 73 3.704 4.674 10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.277 3.547 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.352 2.641 10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.911 3.608 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.476 6.008 8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.118 6.173 10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.697 6.897 10.498 1.00 0.00 H new ATOM 1107 N ALA A 74 3.949 6.453 12.662 1.00 0.00 N ATOM 1108 CA ALA A 74 5.094 7.026 13.358 1.00 0.00 C ATOM 1109 C ALA A 74 4.650 7.858 14.555 1.00 0.00 C ATOM 1110 O ALA A 74 5.336 8.795 14.963 1.00 0.00 O ATOM 1111 CB ALA A 74 5.921 7.874 12.402 1.00 0.00 C ATOM 0 H ALA A 74 3.589 7.026 11.899 1.00 0.00 H new ATOM 0 HA ALA A 74 5.710 6.206 13.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.773 8.296 12.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.278 7.253 11.580 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.305 8.681 12.006 1.00 0.00 H new ATOM 1117 N ALA A 75 3.496 7.509 15.116 1.00 0.00 N ATOM 1118 CA ALA A 75 2.961 8.222 16.270 1.00 0.00 C ATOM 1119 C ALA A 75 4.077 8.653 17.215 1.00 0.00 C ATOM 1120 O ALA A 75 4.216 9.846 17.477 1.00 0.00 O ATOM 1121 CB ALA A 75 1.950 7.354 17.004 1.00 0.00 C ATOM 0 H ALA A 75 2.914 6.737 14.790 1.00 0.00 H new ATOM 0 HA ALA A 75 2.459 9.120 15.910 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.559 7.899 17.863 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.131 7.101 16.331 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.435 6.439 17.345 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.425 -4.480 2.108 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -11.059 6.602 -2.969 1.00 0.00 ZN