USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1011 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 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 LYS NZ :NH3+ -119:sc= 1.14 (180deg=-0.212) USER MOD Set 2.1: A 94 ASN : amide:sc= -0.291 K(o=-0.074,f=-1.3) USER MOD Set 2.2: A 106 TYR OH : rot -140:sc= 0.217 USER MOD Set 3.1: A 31 ASN : amide:sc= 0.821 K(o=1.3,f=-1.6) USER MOD Set 3.2: A 32 ASN : amide:sc= 0.459 K(o=1.3,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.516 (180deg=0.387) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.172) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.07) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -171:sc= -0.177 (180deg=-0.365) USER MOD Single : A 23 ASN : amide:sc= 0.794 K(o=0.79,f=-4!) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00464) USER MOD Single : A 44 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0.638 (180deg=0.542) USER MOD Single : A 47 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -140:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.771 K(o=0.77,f=-0.96) USER MOD Single : A 60 MET CE :methyl -170:sc= -1.77 (180deg=-2.23) USER MOD Single : A 62 ASN : amide:sc= -0.0399 K(o=-0.04,f=-1.5) USER MOD Single : A 63 MET CE :methyl -170:sc=-0.00997 (180deg=-0.155) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -91:sc= 0.327 USER MOD Single : A 85 MET CE :methyl -110:sc= -1.24 (180deg=-1.48) USER MOD Single : A 87 THR OG1 : rot 132:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= -0.498 (180deg=-0.995) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.237 USER MOD Single : A 109 LYS NZ :NH3+ -121:sc= -0.0122 (180deg=-0.637) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -175:sc= 0 (180deg=-0.0361) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.221 -17.679 0.984 1.00 0.00 N ATOM 2 CA MET A 1 17.725 -18.136 2.298 1.00 0.00 C ATOM 3 C MET A 1 17.756 -16.989 3.297 1.00 0.00 C ATOM 4 O MET A 1 17.382 -17.178 4.455 1.00 0.00 O ATOM 5 CB MET A 1 19.121 -18.780 2.252 1.00 0.00 C ATOM 6 CG MET A 1 19.265 -19.956 1.279 1.00 0.00 C ATOM 7 SD MET A 1 20.288 -19.602 -0.174 1.00 0.00 S ATOM 8 CE MET A 1 21.932 -19.583 0.597 1.00 0.00 C ATOM 0 H1 MET A 1 16.952 -18.503 0.409 1.00 0.00 H new ATOM 0 H2 MET A 1 16.390 -17.069 1.124 1.00 0.00 H new ATOM 0 H3 MET A 1 17.965 -17.143 0.494 1.00 0.00 H new ATOM 0 HA MET A 1 17.021 -18.907 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.848 -18.014 1.982 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.378 -19.124 3.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.694 -20.804 1.813 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.273 -20.259 0.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.687 -19.377 -0.162 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.966 -18.808 1.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.131 -20.553 1.054 1.00 0.00 H new ATOM 20 N ALA A 2 18.238 -15.816 2.880 1.00 0.00 N ATOM 21 CA ALA A 2 18.180 -14.568 3.605 1.00 0.00 C ATOM 22 C ALA A 2 17.313 -13.652 2.747 1.00 0.00 C ATOM 23 O ALA A 2 17.792 -13.120 1.750 1.00 0.00 O ATOM 24 CB ALA A 2 19.603 -14.030 3.806 1.00 0.00 C ATOM 0 H ALA A 2 18.702 -15.718 1.977 1.00 0.00 H new ATOM 0 HA ALA A 2 17.753 -14.661 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.562 -13.088 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.189 -14.754 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.070 -13.866 2.835 1.00 0.00 H new ATOM 30 N ASP A 3 16.027 -13.525 3.071 1.00 0.00 N ATOM 31 CA ASP A 3 15.046 -12.771 2.280 1.00 0.00 C ATOM 32 C ASP A 3 14.355 -11.725 3.164 1.00 0.00 C ATOM 33 O ASP A 3 13.208 -11.355 2.918 1.00 0.00 O ATOM 34 CB ASP A 3 14.036 -13.697 1.575 1.00 0.00 C ATOM 35 CG ASP A 3 14.679 -14.647 0.566 1.00 0.00 C ATOM 36 OD1 ASP A 3 15.078 -14.186 -0.529 1.00 0.00 O ATOM 37 OD2 ASP A 3 14.808 -15.861 0.866 1.00 0.00 O ATOM 0 H ASP A 3 15.626 -13.951 3.907 1.00 0.00 H new ATOM 0 HA ASP A 3 15.576 -12.248 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.506 -14.283 2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.292 -13.087 1.064 1.00 0.00 H new ATOM 42 N LYS A 4 15.050 -11.238 4.199 1.00 0.00 N ATOM 43 CA LYS A 4 14.691 -10.078 5.022 1.00 0.00 C ATOM 44 C LYS A 4 14.848 -8.788 4.205 1.00 0.00 C ATOM 45 O LYS A 4 15.695 -7.930 4.477 1.00 0.00 O ATOM 46 CB LYS A 4 15.479 -10.065 6.345 1.00 0.00 C ATOM 47 CG LYS A 4 17.001 -10.278 6.242 1.00 0.00 C ATOM 48 CD LYS A 4 17.420 -11.751 6.076 1.00 0.00 C ATOM 49 CE LYS A 4 18.625 -12.126 6.946 1.00 0.00 C ATOM 50 NZ LYS A 4 19.848 -11.387 6.584 1.00 0.00 N ATOM 0 H LYS A 4 15.925 -11.666 4.501 1.00 0.00 H new ATOM 0 HA LYS A 4 13.642 -10.149 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.301 -9.109 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.069 -10.840 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.381 -9.706 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.475 -9.875 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.578 -12.395 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 4 17.660 -11.940 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.386 -11.932 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.813 -13.196 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.680 -11.895 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.912 -11.308 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.815 -10.435 7.002 1.00 0.00 H new ATOM 64 N GLU A 5 14.066 -8.723 3.140 1.00 0.00 N ATOM 65 CA GLU A 5 14.157 -7.867 1.973 1.00 0.00 C ATOM 66 C GLU A 5 12.980 -8.169 1.027 1.00 0.00 C ATOM 67 O GLU A 5 13.080 -7.910 -0.176 1.00 0.00 O ATOM 68 CB GLU A 5 15.542 -8.000 1.299 1.00 0.00 C ATOM 69 CG GLU A 5 15.999 -9.430 0.978 1.00 0.00 C ATOM 70 CD GLU A 5 17.384 -9.424 0.331 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.503 -8.998 -0.839 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.368 -9.835 0.988 1.00 0.00 O ATOM 0 H GLU A 5 13.259 -9.342 3.067 1.00 0.00 H new ATOM 0 HA GLU A 5 14.075 -6.821 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.529 -7.427 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.286 -7.539 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.022 -10.023 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.282 -9.904 0.308 1.00 0.00 H new ATOM 79 N LEU A 6 11.868 -8.700 1.565 1.00 0.00 N ATOM 80 CA LEU A 6 10.562 -8.748 0.911 1.00 0.00 C ATOM 81 C LEU A 6 10.284 -7.409 0.242 1.00 0.00 C ATOM 82 O LEU A 6 10.190 -6.385 0.917 1.00 0.00 O ATOM 83 CB LEU A 6 9.463 -9.061 1.937 1.00 0.00 C ATOM 84 CG LEU A 6 8.051 -9.076 1.307 1.00 0.00 C ATOM 85 CD1 LEU A 6 7.360 -10.414 1.563 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.183 -7.950 1.875 1.00 0.00 C ATOM 0 H LEU A 6 11.860 -9.118 2.495 1.00 0.00 H new ATOM 0 HA LEU A 6 10.567 -9.537 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.663 -10.030 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.493 -8.319 2.735 1.00 0.00 H new ATOM 0 HG LEU A 6 8.171 -8.928 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.368 -10.403 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.950 -11.218 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.268 -10.576 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.196 -7.984 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.085 -8.075 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.650 -6.988 1.662 1.00 0.00 H new ATOM 98 N LYS A 7 10.197 -7.415 -1.086 1.00 0.00 N ATOM 99 CA LYS A 7 10.107 -6.178 -1.834 1.00 0.00 C ATOM 100 C LYS A 7 8.753 -5.528 -1.572 1.00 0.00 C ATOM 101 O LYS A 7 7.714 -6.155 -1.815 1.00 0.00 O ATOM 102 CB LYS A 7 10.384 -6.422 -3.318 1.00 0.00 C ATOM 103 CG LYS A 7 10.584 -5.066 -4.000 1.00 0.00 C ATOM 104 CD LYS A 7 10.940 -5.187 -5.479 1.00 0.00 C ATOM 105 CE LYS A 7 12.275 -5.880 -5.791 1.00 0.00 C ATOM 106 NZ LYS A 7 13.373 -5.435 -4.906 1.00 0.00 N ATOM 0 H LYS A 7 10.187 -8.260 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 7 10.874 -5.480 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.271 -7.043 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.553 -6.958 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.672 -4.477 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.375 -4.520 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.142 -5.734 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.962 -4.187 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.151 -6.958 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.548 -5.683 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.283 -5.758 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.372 -4.397 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.238 -5.836 -3.956 1.00 0.00 H new ATOM 120 N PHE A 8 8.761 -4.284 -1.093 1.00 0.00 N ATOM 121 CA PHE A 8 7.550 -3.491 -0.946 1.00 0.00 C ATOM 122 C PHE A 8 7.376 -2.708 -2.238 1.00 0.00 C ATOM 123 O PHE A 8 8.358 -2.443 -2.933 1.00 0.00 O ATOM 124 CB PHE A 8 7.714 -2.537 0.249 1.00 0.00 C ATOM 125 CG PHE A 8 7.081 -3.008 1.536 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.528 -4.196 2.138 1.00 0.00 C ATOM 127 CD2 PHE A 8 6.049 -2.265 2.140 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.913 -4.662 3.309 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.465 -2.719 3.335 1.00 0.00 C ATOM 130 CZ PHE A 8 5.895 -3.919 3.921 1.00 0.00 C ATOM 0 H PHE A 8 9.610 -3.802 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 8 6.676 -4.116 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.778 -2.377 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.285 -1.570 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.345 -4.750 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.706 -1.347 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.226 -5.600 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.682 -2.142 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.444 -4.268 4.838 1.00 0.00 H new ATOM 140 N LEU A 9 6.165 -2.244 -2.527 1.00 0.00 N ATOM 141 CA LEU A 9 5.934 -1.227 -3.538 1.00 0.00 C ATOM 142 C LEU A 9 5.249 -0.048 -2.869 1.00 0.00 C ATOM 143 O LEU A 9 4.340 -0.268 -2.075 1.00 0.00 O ATOM 144 CB LEU A 9 5.079 -1.789 -4.680 1.00 0.00 C ATOM 145 CG LEU A 9 5.054 -0.825 -5.877 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.378 -0.814 -6.650 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.923 -1.212 -6.822 1.00 0.00 C ATOM 0 H LEU A 9 5.315 -2.566 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 9 6.879 -0.904 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.476 -2.754 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.062 -1.962 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 9 4.896 0.178 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.306 -0.117 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.184 -0.503 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.586 -1.814 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.907 -0.527 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.080 -2.229 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.972 -1.156 -6.293 1.00 0.00 H new ATOM 159 N VAL A 10 5.667 1.175 -3.187 1.00 0.00 N ATOM 160 CA VAL A 10 5.072 2.405 -2.676 1.00 0.00 C ATOM 161 C VAL A 10 4.889 3.368 -3.856 1.00 0.00 C ATOM 162 O VAL A 10 5.871 3.757 -4.486 1.00 0.00 O ATOM 163 CB VAL A 10 5.919 2.981 -1.514 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.134 4.069 -0.779 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.335 1.924 -0.473 1.00 0.00 C ATOM 0 H VAL A 10 6.448 1.341 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 10 4.089 2.221 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 10 6.822 3.377 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.739 4.467 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.888 4.872 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.215 3.644 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.925 2.398 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.444 1.474 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.931 1.151 -0.958 1.00 0.00 H new ATOM 175 N VAL A 11 3.642 3.689 -4.218 1.00 0.00 N ATOM 176 CA VAL A 11 3.294 4.524 -5.375 1.00 0.00 C ATOM 177 C VAL A 11 2.326 5.608 -4.881 1.00 0.00 C ATOM 178 O VAL A 11 1.110 5.529 -5.074 1.00 0.00 O ATOM 179 CB VAL A 11 2.747 3.674 -6.545 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.813 4.453 -7.871 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.535 2.363 -6.697 1.00 0.00 C ATOM 0 H VAL A 11 2.824 3.367 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 11 4.176 5.010 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 11 1.708 3.442 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.422 3.832 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.215 5.361 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.848 4.718 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.127 1.787 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.583 2.589 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.455 1.782 -5.779 1.00 0.00 H new ATOM 191 N ASP A 12 2.857 6.578 -4.139 1.00 0.00 N ATOM 192 CA ASP A 12 2.102 7.688 -3.557 1.00 0.00 C ATOM 193 C ASP A 12 1.865 8.751 -4.634 1.00 0.00 C ATOM 194 O ASP A 12 2.558 8.780 -5.653 1.00 0.00 O ATOM 195 CB ASP A 12 2.838 8.348 -2.367 1.00 0.00 C ATOM 196 CG ASP A 12 4.059 7.600 -1.839 1.00 0.00 C ATOM 197 OD1 ASP A 12 5.051 7.544 -2.604 1.00 0.00 O ATOM 198 OD2 ASP A 12 4.021 7.112 -0.692 1.00 0.00 O ATOM 0 H ASP A 12 3.852 6.615 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 12 1.162 7.281 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.151 9.348 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.129 8.469 -1.548 1.00 0.00 H new ATOM 203 N ASP A 13 0.958 9.704 -4.395 1.00 0.00 N ATOM 204 CA ASP A 13 0.850 10.929 -5.198 1.00 0.00 C ATOM 205 C ASP A 13 1.900 11.965 -4.768 1.00 0.00 C ATOM 206 O ASP A 13 2.101 12.990 -5.422 1.00 0.00 O ATOM 207 CB ASP A 13 -0.559 11.519 -5.055 1.00 0.00 C ATOM 208 CG ASP A 13 -0.687 12.887 -5.727 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.591 12.959 -6.979 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.863 13.889 -4.996 1.00 0.00 O ATOM 0 H ASP A 13 0.276 9.649 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 13 1.033 10.674 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.284 10.833 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.806 11.612 -3.997 1.00 0.00 H new ATOM 215 N PHE A 14 2.596 11.728 -3.659 1.00 0.00 N ATOM 216 CA PHE A 14 3.474 12.684 -3.016 1.00 0.00 C ATOM 217 C PHE A 14 4.791 11.996 -2.686 1.00 0.00 C ATOM 218 O PHE A 14 4.822 11.191 -1.763 1.00 0.00 O ATOM 219 CB PHE A 14 2.769 13.226 -1.765 1.00 0.00 C ATOM 220 CG PHE A 14 3.547 14.268 -0.994 1.00 0.00 C ATOM 221 CD1 PHE A 14 4.214 15.301 -1.679 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.577 14.232 0.413 1.00 0.00 C ATOM 223 CE1 PHE A 14 4.899 16.289 -0.965 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.266 15.228 1.123 1.00 0.00 C ATOM 225 CZ PHE A 14 4.922 16.261 0.437 1.00 0.00 C ATOM 0 H PHE A 14 2.558 10.833 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 14 3.697 13.527 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.812 13.655 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.550 12.391 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.197 15.331 -2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.071 13.440 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.413 17.077 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.291 15.199 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.443 17.032 0.986 1.00 0.00 H new ATOM 235 N SER A 15 5.876 12.305 -3.399 1.00 0.00 N ATOM 236 CA SER A 15 7.151 11.603 -3.258 1.00 0.00 C ATOM 237 C SER A 15 7.604 11.481 -1.794 1.00 0.00 C ATOM 238 O SER A 15 7.998 10.396 -1.356 1.00 0.00 O ATOM 239 CB SER A 15 8.221 12.295 -4.112 1.00 0.00 C ATOM 240 OG SER A 15 7.739 12.618 -5.404 1.00 0.00 O ATOM 0 H SER A 15 5.894 13.052 -4.093 1.00 0.00 H new ATOM 0 HA SER A 15 7.007 10.584 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.553 13.204 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.091 11.644 -4.201 1.00 0.00 H new ATOM 0 HG SER A 15 8.448 13.059 -5.917 1.00 0.00 H new ATOM 246 N THR A 16 7.523 12.568 -1.013 1.00 0.00 N ATOM 247 CA THR A 16 7.874 12.578 0.407 1.00 0.00 C ATOM 248 C THR A 16 7.147 11.468 1.173 1.00 0.00 C ATOM 249 O THR A 16 7.735 10.857 2.069 1.00 0.00 O ATOM 250 CB THR A 16 7.563 13.961 1.003 1.00 0.00 C ATOM 251 OG1 THR A 16 8.225 14.997 0.286 1.00 0.00 O ATOM 252 CG2 THR A 16 7.938 14.053 2.488 1.00 0.00 C ATOM 0 H THR A 16 7.207 13.474 -1.358 1.00 0.00 H new ATOM 0 HA THR A 16 8.942 12.382 0.504 1.00 0.00 H new ATOM 0 HB THR A 16 6.485 14.093 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.006 15.864 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.699 15.048 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.376 13.309 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.006 13.867 2.606 1.00 0.00 H new ATOM 260 N MET A 17 5.895 11.179 0.816 1.00 0.00 N ATOM 261 CA MET A 17 5.109 10.142 1.453 1.00 0.00 C ATOM 262 C MET A 17 5.832 8.790 1.361 1.00 0.00 C ATOM 263 O MET A 17 5.853 8.103 2.379 1.00 0.00 O ATOM 264 CB MET A 17 3.664 10.143 0.908 1.00 0.00 C ATOM 265 CG MET A 17 2.634 10.160 2.036 1.00 0.00 C ATOM 266 SD MET A 17 0.892 9.840 1.617 1.00 0.00 S ATOM 267 CE MET A 17 0.595 10.937 0.205 1.00 0.00 C ATOM 0 H MET A 17 5.401 11.667 0.069 1.00 0.00 H new ATOM 0 HA MET A 17 5.012 10.347 2.519 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.517 11.013 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.509 9.261 0.287 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.939 9.421 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.686 11.136 2.519 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.469 10.946 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.920 11.947 0.454 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.155 10.579 -0.658 1.00 0.00 H new ATOM 277 N ARG A 18 6.575 8.469 0.283 1.00 0.00 N ATOM 278 CA ARG A 18 7.330 7.208 0.227 1.00 0.00 C ATOM 279 C ARG A 18 8.384 7.161 1.308 1.00 0.00 C ATOM 280 O ARG A 18 8.615 6.109 1.897 1.00 0.00 O ATOM 281 CB ARG A 18 7.991 6.996 -1.147 1.00 0.00 C ATOM 282 CG ARG A 18 8.858 5.734 -1.313 1.00 0.00 C ATOM 283 CD ARG A 18 10.353 5.897 -0.969 1.00 0.00 C ATOM 284 NE ARG A 18 11.161 4.902 -1.693 1.00 0.00 N ATOM 285 CZ ARG A 18 12.486 4.712 -1.673 1.00 0.00 C ATOM 286 NH1 ARG A 18 13.290 5.319 -0.810 1.00 0.00 N ATOM 287 NH2 ARG A 18 13.032 3.881 -2.542 1.00 0.00 N ATOM 0 H ARG A 18 6.666 9.056 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 18 6.613 6.403 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.205 6.970 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.612 7.866 -1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.444 4.946 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.777 5.394 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.684 6.902 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.500 5.781 0.105 1.00 0.00 H new ATOM 0 HE ARG A 18 10.637 4.267 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.904 5.964 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.294 5.140 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.445 3.392 -3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.040 3.728 -2.537 1.00 0.00 H new ATOM 301 N ARG A 19 9.089 8.275 1.508 1.00 0.00 N ATOM 302 CA ARG A 19 10.219 8.346 2.425 1.00 0.00 C ATOM 303 C ARG A 19 9.664 8.077 3.815 1.00 0.00 C ATOM 304 O ARG A 19 10.106 7.143 4.477 1.00 0.00 O ATOM 305 CB ARG A 19 10.955 9.701 2.348 1.00 0.00 C ATOM 306 CG ARG A 19 11.744 9.954 1.049 1.00 0.00 C ATOM 307 CD ARG A 19 10.857 10.015 -0.198 1.00 0.00 C ATOM 308 NE ARG A 19 11.567 10.483 -1.395 1.00 0.00 N ATOM 309 CZ ARG A 19 11.257 10.169 -2.660 1.00 0.00 C ATOM 310 NH1 ARG A 19 10.155 9.493 -2.968 1.00 0.00 N ATOM 311 NH2 ARG A 19 12.080 10.552 -3.621 1.00 0.00 N ATOM 0 H ARG A 19 8.888 9.156 1.034 1.00 0.00 H new ATOM 0 HA ARG A 19 10.973 7.605 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.223 10.500 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.644 9.769 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.292 10.891 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.484 9.163 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.447 9.024 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.013 10.677 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 19 12.366 11.101 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.515 9.197 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.949 9.270 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.926 11.073 -3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.869 10.327 -4.593 1.00 0.00 H new ATOM 325 N ILE A 20 8.649 8.856 4.193 1.00 0.00 N ATOM 326 CA ILE A 20 7.900 8.728 5.431 1.00 0.00 C ATOM 327 C ILE A 20 7.442 7.272 5.594 1.00 0.00 C ATOM 328 O ILE A 20 7.888 6.612 6.525 1.00 0.00 O ATOM 329 CB ILE A 20 6.793 9.816 5.447 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.302 11.152 6.040 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.550 9.420 6.255 1.00 0.00 C ATOM 332 CD1 ILE A 20 8.571 11.736 5.404 1.00 0.00 C ATOM 0 H ILE A 20 8.316 9.627 3.613 1.00 0.00 H new ATOM 0 HA ILE A 20 8.500 8.921 6.321 1.00 0.00 H new ATOM 0 HB ILE A 20 6.522 9.928 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.505 11.891 5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.488 11.006 7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.821 10.229 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.111 8.518 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.834 9.231 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.830 12.671 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.392 11.027 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.393 11.926 4.345 1.00 0.00 H new ATOM 344 N VAL A 21 6.598 6.741 4.707 1.00 0.00 N ATOM 345 CA VAL A 21 6.044 5.393 4.812 1.00 0.00 C ATOM 346 C VAL A 21 7.159 4.361 5.000 1.00 0.00 C ATOM 347 O VAL A 21 7.088 3.566 5.935 1.00 0.00 O ATOM 348 CB VAL A 21 5.182 5.089 3.564 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.791 3.609 3.460 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.888 5.908 3.595 1.00 0.00 C ATOM 0 H VAL A 21 6.276 7.246 3.882 1.00 0.00 H new ATOM 0 HA VAL A 21 5.403 5.333 5.692 1.00 0.00 H new ATOM 0 HB VAL A 21 5.797 5.353 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.187 3.454 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.692 2.998 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.216 3.322 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.293 5.682 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.318 5.655 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.130 6.971 3.608 1.00 0.00 H new ATOM 360 N ARG A 22 8.184 4.360 4.141 1.00 0.00 N ATOM 361 CA ARG A 22 9.279 3.396 4.205 1.00 0.00 C ATOM 362 C ARG A 22 9.992 3.459 5.551 1.00 0.00 C ATOM 363 O ARG A 22 10.368 2.412 6.073 1.00 0.00 O ATOM 364 CB ARG A 22 10.231 3.641 3.021 1.00 0.00 C ATOM 365 CG ARG A 22 11.538 2.829 3.080 1.00 0.00 C ATOM 366 CD ARG A 22 12.659 3.698 3.637 1.00 0.00 C ATOM 367 NE ARG A 22 13.924 2.971 3.765 1.00 0.00 N ATOM 368 CZ ARG A 22 15.004 3.417 4.414 1.00 0.00 C ATOM 369 NH1 ARG A 22 15.009 4.560 5.095 1.00 0.00 N ATOM 370 NH2 ARG A 22 16.111 2.700 4.388 1.00 0.00 N ATOM 0 H ARG A 22 8.274 5.033 3.380 1.00 0.00 H new ATOM 0 HA ARG A 22 8.883 2.384 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.709 3.401 2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.478 4.702 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.402 1.948 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.802 2.473 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.804 4.560 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.365 4.083 4.614 1.00 0.00 H new ATOM 0 HE ARG A 22 13.986 2.053 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.166 5.133 5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.856 4.863 5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.135 1.818 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.943 3.028 4.879 1.00 0.00 H new ATOM 384 N ASN A 23 10.222 4.652 6.099 1.00 0.00 N ATOM 385 CA ASN A 23 10.884 4.826 7.365 1.00 0.00 C ATOM 386 C ASN A 23 10.007 4.248 8.472 1.00 0.00 C ATOM 387 O ASN A 23 10.454 3.397 9.240 1.00 0.00 O ATOM 388 CB ASN A 23 11.122 6.320 7.571 1.00 0.00 C ATOM 389 CG ASN A 23 12.191 6.935 6.677 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.019 6.246 6.082 1.00 0.00 O ATOM 391 ND2 ASN A 23 12.193 8.253 6.578 1.00 0.00 N ATOM 0 H ASN A 23 9.945 5.529 5.659 1.00 0.00 H new ATOM 0 HA ASN A 23 11.841 4.305 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.183 6.848 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.401 6.487 8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.891 8.720 5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.497 8.803 7.081 1.00 0.00 H new ATOM 398 N LEU A 24 8.746 4.688 8.533 1.00 0.00 N ATOM 399 CA LEU A 24 7.770 4.245 9.526 1.00 0.00 C ATOM 400 C LEU A 24 7.603 2.727 9.493 1.00 0.00 C ATOM 401 O LEU A 24 7.416 2.119 10.541 1.00 0.00 O ATOM 402 CB LEU A 24 6.404 4.888 9.260 1.00 0.00 C ATOM 403 CG LEU A 24 6.344 6.423 9.355 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.986 6.838 8.780 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.587 6.969 10.764 1.00 0.00 C ATOM 0 H LEU A 24 8.371 5.375 7.879 1.00 0.00 H new ATOM 0 HA LEU A 24 8.142 4.548 10.505 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.075 4.594 8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.687 4.473 9.968 1.00 0.00 H new ATOM 0 HG LEU A 24 7.161 6.861 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.889 7.923 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.913 6.508 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.188 6.379 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.528 8.057 10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.830 6.575 11.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.576 6.664 11.107 1.00 0.00 H new ATOM 417 N LEU A 25 7.668 2.129 8.299 1.00 0.00 N ATOM 418 CA LEU A 25 7.744 0.691 8.108 1.00 0.00 C ATOM 419 C LEU A 25 8.949 0.129 8.832 1.00 0.00 C ATOM 420 O LEU A 25 8.749 -0.607 9.787 1.00 0.00 O ATOM 421 CB LEU A 25 7.802 0.335 6.619 1.00 0.00 C ATOM 422 CG LEU A 25 6.389 0.094 6.073 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.356 0.359 4.574 1.00 0.00 C ATOM 424 CD2 LEU A 25 5.936 -1.341 6.363 1.00 0.00 C ATOM 0 H LEU A 25 7.669 2.651 7.423 1.00 0.00 H new ATOM 0 HA LEU A 25 6.842 0.245 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.281 1.142 6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.412 -0.557 6.475 1.00 0.00 H new ATOM 0 HG LEU A 25 5.704 0.780 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.349 0.185 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.643 1.393 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.053 -0.311 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.931 -1.492 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.622 -2.042 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.932 -1.511 7.440 1.00 0.00 H new ATOM 436 N LYS A 26 10.180 0.448 8.411 1.00 0.00 N ATOM 437 CA LYS A 26 11.365 -0.207 8.972 1.00 0.00 C ATOM 438 C LYS A 26 11.474 -0.052 10.490 1.00 0.00 C ATOM 439 O LYS A 26 11.999 -0.961 11.130 1.00 0.00 O ATOM 440 CB LYS A 26 12.645 0.169 8.232 1.00 0.00 C ATOM 441 CG LYS A 26 12.949 1.667 8.266 1.00 0.00 C ATOM 442 CD LYS A 26 14.310 1.976 7.640 1.00 0.00 C ATOM 443 CE LYS A 26 15.475 1.375 8.434 1.00 0.00 C ATOM 444 NZ LYS A 26 15.684 2.050 9.730 1.00 0.00 N ATOM 0 H LYS A 26 10.378 1.146 7.694 1.00 0.00 H new ATOM 0 HA LYS A 26 11.228 -1.275 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.482 -0.374 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.564 -0.154 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.170 2.210 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.933 2.019 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.333 1.590 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.439 3.056 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.285 0.316 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.387 1.443 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.503 1.629 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.859 3.063 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.837 1.935 10.322 1.00 0.00 H new ATOM 458 N GLU A 27 10.936 1.016 11.088 1.00 0.00 N ATOM 459 CA GLU A 27 10.862 1.171 12.550 1.00 0.00 C ATOM 460 C GLU A 27 10.091 0.018 13.230 1.00 0.00 C ATOM 461 O GLU A 27 10.262 -0.228 14.429 1.00 0.00 O ATOM 462 CB GLU A 27 10.183 2.505 12.895 1.00 0.00 C ATOM 463 CG GLU A 27 10.948 3.742 12.406 1.00 0.00 C ATOM 464 CD GLU A 27 12.010 4.237 13.383 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.674 5.041 14.282 1.00 0.00 O ATOM 466 OE2 GLU A 27 13.209 3.929 13.196 1.00 0.00 O ATOM 0 H GLU A 27 10.538 1.801 10.573 1.00 0.00 H new ATOM 0 HA GLU A 27 11.885 1.152 12.927 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.183 2.514 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.062 2.570 13.976 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.424 3.510 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.237 4.547 12.219 1.00 0.00 H new ATOM 473 N LEU A 28 9.258 -0.701 12.475 1.00 0.00 N ATOM 474 CA LEU A 28 8.452 -1.867 12.839 1.00 0.00 C ATOM 475 C LEU A 28 8.996 -3.152 12.200 1.00 0.00 C ATOM 476 O LEU A 28 8.911 -4.222 12.807 1.00 0.00 O ATOM 477 CB LEU A 28 7.006 -1.681 12.343 1.00 0.00 C ATOM 478 CG LEU A 28 6.305 -0.402 12.832 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.085 -0.124 11.951 1.00 0.00 C ATOM 480 CD2 LEU A 28 5.897 -0.546 14.299 1.00 0.00 C ATOM 0 H LEU A 28 9.118 -0.456 11.495 1.00 0.00 H new ATOM 0 HA LEU A 28 8.489 -1.955 13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.010 -1.680 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.417 -2.542 12.659 1.00 0.00 H new ATOM 0 HG LEU A 28 6.993 0.440 12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.586 0.782 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.405 0.009 10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.393 -0.964 12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.402 0.367 14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.213 -1.388 14.406 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.784 -0.719 14.908 1.00 0.00 H new ATOM 492 N GLY A 29 9.521 -3.078 10.977 1.00 0.00 N ATOM 493 CA GLY A 29 10.057 -4.199 10.220 1.00 0.00 C ATOM 494 C GLY A 29 9.996 -3.925 8.722 1.00 0.00 C ATOM 495 O GLY A 29 9.484 -2.893 8.290 1.00 0.00 O ATOM 0 H GLY A 29 9.585 -2.196 10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.089 -4.383 10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.492 -5.102 10.452 1.00 0.00 H new ATOM 499 N PHE A 30 10.506 -4.864 7.926 1.00 0.00 N ATOM 500 CA PHE A 30 10.662 -4.739 6.479 1.00 0.00 C ATOM 501 C PHE A 30 11.614 -3.596 6.089 1.00 0.00 C ATOM 502 O PHE A 30 12.259 -2.963 6.934 1.00 0.00 O ATOM 503 CB PHE A 30 9.298 -4.643 5.770 1.00 0.00 C ATOM 504 CG PHE A 30 8.245 -5.639 6.221 1.00 0.00 C ATOM 505 CD1 PHE A 30 8.252 -6.950 5.708 1.00 0.00 C ATOM 506 CD2 PHE A 30 7.217 -5.236 7.097 1.00 0.00 C ATOM 507 CE1 PHE A 30 7.209 -7.836 6.030 1.00 0.00 C ATOM 508 CE2 PHE A 30 6.192 -6.134 7.441 1.00 0.00 C ATOM 509 CZ PHE A 30 6.179 -7.429 6.895 1.00 0.00 C ATOM 0 H PHE A 30 10.832 -5.762 8.283 1.00 0.00 H new ATOM 0 HA PHE A 30 11.137 -5.655 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.905 -3.637 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.457 -4.771 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.058 -7.275 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.217 -4.236 7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.199 -8.832 5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.414 -5.829 8.125 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.378 -8.111 7.140 1.00 0.00 H new ATOM 519 N ASN A 31 11.760 -3.404 4.777 1.00 0.00 N ATOM 520 CA ASN A 31 12.765 -2.648 4.033 1.00 0.00 C ATOM 521 C ASN A 31 12.543 -3.008 2.559 1.00 0.00 C ATOM 522 O ASN A 31 11.520 -3.599 2.223 1.00 0.00 O ATOM 523 CB ASN A 31 14.212 -2.946 4.503 1.00 0.00 C ATOM 524 CG ASN A 31 14.549 -4.431 4.606 1.00 0.00 C ATOM 525 OD1 ASN A 31 14.247 -5.050 5.618 1.00 0.00 O ATOM 526 ND2 ASN A 31 15.231 -5.034 3.647 1.00 0.00 N ATOM 0 H ASN A 31 11.092 -3.828 4.133 1.00 0.00 H new ATOM 0 HA ASN A 31 12.651 -1.577 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.910 -2.475 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.367 -2.482 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.503 -6.011 3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.485 -4.522 2.802 1.00 0.00 H new ATOM 533 N ASN A 32 13.478 -2.649 1.675 1.00 0.00 N ATOM 534 CA ASN A 32 13.489 -2.997 0.251 1.00 0.00 C ATOM 535 C ASN A 32 12.213 -2.552 -0.455 1.00 0.00 C ATOM 536 O ASN A 32 11.603 -3.283 -1.232 1.00 0.00 O ATOM 537 CB ASN A 32 13.860 -4.473 0.029 1.00 0.00 C ATOM 538 CG ASN A 32 15.368 -4.657 0.064 1.00 0.00 C ATOM 539 OD1 ASN A 32 16.033 -4.213 1.002 1.00 0.00 O ATOM 540 ND2 ASN A 32 15.941 -5.262 -0.958 1.00 0.00 N ATOM 0 H ASN A 32 14.283 -2.083 1.944 1.00 0.00 H new ATOM 0 HA ASN A 32 14.285 -2.429 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.395 -5.090 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.469 -4.811 -0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.955 -5.370 -0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.370 -5.622 -1.723 1.00 0.00 H new ATOM 547 N VAL A 33 11.812 -1.311 -0.202 1.00 0.00 N ATOM 548 CA VAL A 33 10.721 -0.708 -0.941 1.00 0.00 C ATOM 549 C VAL A 33 11.204 -0.408 -2.362 1.00 0.00 C ATOM 550 O VAL A 33 12.375 -0.071 -2.565 1.00 0.00 O ATOM 551 CB VAL A 33 10.189 0.529 -0.189 1.00 0.00 C ATOM 552 CG1 VAL A 33 9.972 0.260 1.317 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.116 1.740 -0.342 1.00 0.00 C ATOM 0 H VAL A 33 12.228 -0.708 0.508 1.00 0.00 H new ATOM 0 HA VAL A 33 9.874 -1.389 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 33 9.226 0.750 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.597 1.164 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.248 -0.545 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.918 -0.029 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.701 2.587 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.100 1.497 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.207 1.998 -1.397 1.00 0.00 H new ATOM 563 N GLU A 34 10.300 -0.460 -3.325 1.00 0.00 N ATOM 564 CA GLU A 34 10.424 0.042 -4.681 1.00 0.00 C ATOM 565 C GLU A 34 9.255 1.000 -4.898 1.00 0.00 C ATOM 566 O GLU A 34 8.331 1.066 -4.085 1.00 0.00 O ATOM 567 CB GLU A 34 10.345 -1.135 -5.673 1.00 0.00 C ATOM 568 CG GLU A 34 11.596 -1.355 -6.538 1.00 0.00 C ATOM 569 CD GLU A 34 12.885 -1.583 -5.749 1.00 0.00 C ATOM 570 OE1 GLU A 34 13.628 -0.617 -5.469 1.00 0.00 O ATOM 571 OE2 GLU A 34 13.236 -2.760 -5.505 1.00 0.00 O ATOM 0 H GLU A 34 9.388 -0.889 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 34 11.375 0.550 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.147 -2.048 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.492 -0.975 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.426 -2.214 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.731 -0.488 -7.185 1.00 0.00 H new ATOM 578 N GLU A 35 9.255 1.685 -6.035 1.00 0.00 N ATOM 579 CA GLU A 35 8.206 2.589 -6.460 1.00 0.00 C ATOM 580 C GLU A 35 7.828 2.272 -7.903 1.00 0.00 C ATOM 581 O GLU A 35 8.440 1.422 -8.564 1.00 0.00 O ATOM 582 CB GLU A 35 8.646 4.057 -6.325 1.00 0.00 C ATOM 583 CG GLU A 35 9.086 4.470 -4.917 1.00 0.00 C ATOM 584 CD GLU A 35 10.600 4.398 -4.738 1.00 0.00 C ATOM 585 OE1 GLU A 35 11.167 3.322 -4.441 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.271 5.448 -4.808 1.00 0.00 O ATOM 0 H GLU A 35 10.018 1.620 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 35 7.338 2.450 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.469 4.240 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.821 4.699 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.747 5.486 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.605 3.823 -4.184 1.00 0.00 H new ATOM 593 N ALA A 36 6.826 2.988 -8.391 1.00 0.00 N ATOM 594 CA ALA A 36 6.376 3.021 -9.763 1.00 0.00 C ATOM 595 C ALA A 36 6.194 4.493 -10.130 1.00 0.00 C ATOM 596 O ALA A 36 6.231 5.347 -9.239 1.00 0.00 O ATOM 597 CB ALA A 36 5.066 2.239 -9.843 1.00 0.00 C ATOM 0 H ALA A 36 6.272 3.601 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 36 7.081 2.567 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.700 2.246 -10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.236 1.210 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.325 2.702 -9.191 1.00 0.00 H new ATOM 603 N GLU A 37 5.985 4.798 -11.409 1.00 0.00 N ATOM 604 CA GLU A 37 5.692 6.169 -11.805 1.00 0.00 C ATOM 605 C GLU A 37 4.270 6.557 -11.387 1.00 0.00 C ATOM 606 O GLU A 37 4.046 7.721 -11.062 1.00 0.00 O ATOM 607 CB GLU A 37 5.931 6.392 -13.308 1.00 0.00 C ATOM 608 CG GLU A 37 5.104 5.478 -14.223 1.00 0.00 C ATOM 609 CD GLU A 37 5.184 5.853 -15.702 1.00 0.00 C ATOM 610 OE1 GLU A 37 4.623 6.900 -16.102 1.00 0.00 O ATOM 611 OE2 GLU A 37 5.781 5.063 -16.475 1.00 0.00 O ATOM 0 H GLU A 37 6.013 4.126 -12.175 1.00 0.00 H new ATOM 0 HA GLU A 37 6.385 6.827 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.703 7.430 -13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.989 6.239 -13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.445 4.450 -14.099 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.062 5.508 -13.906 1.00 0.00 H new ATOM 618 N ASP A 38 3.321 5.610 -11.369 1.00 0.00 N ATOM 619 CA ASP A 38 1.911 5.817 -11.059 1.00 0.00 C ATOM 620 C ASP A 38 1.254 4.430 -10.936 1.00 0.00 C ATOM 621 O ASP A 38 1.912 3.409 -11.140 1.00 0.00 O ATOM 622 CB ASP A 38 1.220 6.767 -12.076 1.00 0.00 C ATOM 623 CG ASP A 38 0.800 6.192 -13.433 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.495 4.987 -13.527 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.687 6.992 -14.392 1.00 0.00 O ATOM 0 H ASP A 38 3.532 4.635 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 38 1.796 6.338 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.330 7.176 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.895 7.603 -12.263 1.00 0.00 H new ATOM 630 N GLY A 39 -0.020 4.355 -10.552 1.00 0.00 N ATOM 631 CA GLY A 39 -0.764 3.117 -10.330 1.00 0.00 C ATOM 632 C GLY A 39 -0.806 2.167 -11.536 1.00 0.00 C ATOM 633 O GLY A 39 -0.756 0.946 -11.366 1.00 0.00 O ATOM 0 H GLY A 39 -0.583 5.188 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.321 2.590 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.786 3.369 -10.048 1.00 0.00 H new ATOM 637 N VAL A 40 -0.881 2.705 -12.755 1.00 0.00 N ATOM 638 CA VAL A 40 -0.909 1.917 -13.982 1.00 0.00 C ATOM 639 C VAL A 40 0.411 1.148 -14.095 1.00 0.00 C ATOM 640 O VAL A 40 0.415 -0.035 -14.457 1.00 0.00 O ATOM 641 CB VAL A 40 -1.145 2.839 -15.202 1.00 0.00 C ATOM 642 CG1 VAL A 40 -1.350 2.003 -16.468 1.00 0.00 C ATOM 643 CG2 VAL A 40 -2.363 3.766 -15.017 1.00 0.00 C ATOM 0 H VAL A 40 -0.924 3.711 -12.916 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.731 1.201 -13.958 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.256 3.462 -15.296 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.515 2.665 -17.318 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.465 1.394 -16.649 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.217 1.355 -16.339 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.482 4.391 -15.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.260 3.164 -14.874 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.209 4.400 -14.144 1.00 0.00 H new ATOM 653 N ASP A 41 1.519 1.808 -13.750 1.00 0.00 N ATOM 654 CA ASP A 41 2.828 1.182 -13.641 1.00 0.00 C ATOM 655 C ASP A 41 2.891 0.268 -12.413 1.00 0.00 C ATOM 656 O ASP A 41 3.507 -0.794 -12.475 1.00 0.00 O ATOM 657 CB ASP A 41 3.918 2.257 -13.572 1.00 0.00 C ATOM 658 CG ASP A 41 5.347 1.702 -13.522 1.00 0.00 C ATOM 659 OD1 ASP A 41 5.650 0.594 -14.019 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.221 2.411 -12.972 1.00 0.00 O ATOM 0 H ASP A 41 1.527 2.805 -13.537 1.00 0.00 H new ATOM 0 HA ASP A 41 2.997 0.568 -14.526 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.824 2.910 -14.440 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.749 2.874 -12.689 1.00 0.00 H new ATOM 665 N ALA A 42 2.217 0.629 -11.309 1.00 0.00 N ATOM 666 CA ALA A 42 2.269 -0.086 -10.044 1.00 0.00 C ATOM 667 C ALA A 42 1.854 -1.525 -10.267 1.00 0.00 C ATOM 668 O ALA A 42 2.605 -2.433 -9.923 1.00 0.00 O ATOM 669 CB ALA A 42 1.377 0.571 -8.985 1.00 0.00 C ATOM 0 H ALA A 42 1.609 1.447 -11.281 1.00 0.00 H new ATOM 0 HA ALA A 42 3.292 -0.052 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.443 0.008 -8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.709 1.595 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.344 0.578 -9.333 1.00 0.00 H new ATOM 675 N LEU A 43 0.695 -1.724 -10.898 1.00 0.00 N ATOM 676 CA LEU A 43 0.178 -3.046 -11.237 1.00 0.00 C ATOM 677 C LEU A 43 1.216 -3.877 -12.005 1.00 0.00 C ATOM 678 O LEU A 43 1.403 -5.074 -11.749 1.00 0.00 O ATOM 679 CB LEU A 43 -1.086 -2.838 -12.086 1.00 0.00 C ATOM 680 CG LEU A 43 -1.852 -4.141 -12.356 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.785 -4.503 -11.197 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.649 -3.989 -13.652 1.00 0.00 C ATOM 0 H LEU A 43 0.084 -0.961 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.052 -3.600 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.746 -2.134 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.807 -2.384 -13.037 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.131 -4.953 -12.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.308 -5.431 -11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.200 -4.633 -10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.511 -3.703 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.197 -4.910 -13.852 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.353 -3.163 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.966 -3.786 -14.477 1.00 0.00 H new ATOM 694 N ASN A 44 1.897 -3.231 -12.954 1.00 0.00 N ATOM 695 CA ASN A 44 2.906 -3.871 -13.780 1.00 0.00 C ATOM 696 C ASN A 44 4.157 -4.223 -12.974 1.00 0.00 C ATOM 697 O ASN A 44 4.842 -5.193 -13.294 1.00 0.00 O ATOM 698 CB ASN A 44 3.270 -2.970 -14.970 1.00 0.00 C ATOM 699 CG ASN A 44 3.763 -3.777 -16.166 1.00 0.00 C ATOM 700 OD1 ASN A 44 3.904 -4.994 -16.116 1.00 0.00 O ATOM 701 ND2 ASN A 44 3.934 -3.156 -17.320 1.00 0.00 N ATOM 0 H ASN A 44 1.758 -2.243 -13.167 1.00 0.00 H new ATOM 0 HA ASN A 44 2.484 -4.803 -14.156 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.398 -2.385 -15.262 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.042 -2.263 -14.667 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.180 -3.689 -18.154 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.820 -2.144 -17.376 1.00 0.00 H new ATOM 708 N LYS A 45 4.467 -3.474 -11.909 1.00 0.00 N ATOM 709 CA LYS A 45 5.455 -3.914 -10.930 1.00 0.00 C ATOM 710 C LYS A 45 4.970 -5.209 -10.291 1.00 0.00 C ATOM 711 O LYS A 45 5.719 -6.178 -10.315 1.00 0.00 O ATOM 712 CB LYS A 45 5.753 -2.868 -9.844 1.00 0.00 C ATOM 713 CG LYS A 45 6.078 -1.440 -10.291 1.00 0.00 C ATOM 714 CD LYS A 45 7.110 -1.351 -11.411 1.00 0.00 C ATOM 715 CE LYS A 45 7.576 0.100 -11.515 1.00 0.00 C ATOM 716 NZ LYS A 45 8.177 0.395 -12.825 1.00 0.00 N ATOM 0 H LYS A 45 4.048 -2.566 -11.708 1.00 0.00 H new ATOM 0 HA LYS A 45 6.393 -4.069 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.890 -2.822 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.593 -3.232 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.158 -0.957 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.442 -0.877 -9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.955 -2.008 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.676 -1.680 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.729 0.765 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.303 0.304 -10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.615 1.338 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.902 -0.318 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.439 0.374 -13.558 1.00 0.00 H new ATOM 730 N LEU A 46 3.744 -5.246 -9.750 1.00 0.00 N ATOM 731 CA LEU A 46 3.245 -6.397 -8.985 1.00 0.00 C ATOM 732 C LEU A 46 3.389 -7.673 -9.787 1.00 0.00 C ATOM 733 O LEU A 46 4.030 -8.612 -9.320 1.00 0.00 O ATOM 734 CB LEU A 46 1.774 -6.254 -8.559 1.00 0.00 C ATOM 735 CG LEU A 46 1.435 -4.883 -7.998 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.036 -4.814 -7.681 1.00 0.00 C ATOM 737 CD2 LEU A 46 2.245 -4.475 -6.777 1.00 0.00 C ATOM 0 H LEU A 46 3.073 -4.482 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 46 3.854 -6.436 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.134 -6.454 -9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.546 -7.011 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 46 1.703 -4.170 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.276 -3.830 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.613 -4.985 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.286 -5.578 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.933 -3.484 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.079 -5.193 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.304 -4.456 -7.033 1.00 0.00 H new ATOM 749 N GLN A 47 2.834 -7.695 -11.006 1.00 0.00 N ATOM 750 CA GLN A 47 2.808 -8.907 -11.827 1.00 0.00 C ATOM 751 C GLN A 47 4.196 -9.352 -12.336 1.00 0.00 C ATOM 752 O GLN A 47 4.291 -10.222 -13.207 1.00 0.00 O ATOM 753 CB GLN A 47 1.734 -8.798 -12.920 1.00 0.00 C ATOM 754 CG GLN A 47 0.324 -8.734 -12.300 1.00 0.00 C ATOM 755 CD GLN A 47 -0.734 -9.195 -13.296 1.00 0.00 C ATOM 756 OE1 GLN A 47 -1.312 -8.391 -14.025 1.00 0.00 O ATOM 757 NE2 GLN A 47 -0.980 -10.492 -13.386 1.00 0.00 N ATOM 0 H GLN A 47 2.397 -6.884 -11.444 1.00 0.00 H new ATOM 0 HA GLN A 47 2.514 -9.732 -11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.912 -7.907 -13.523 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.803 -9.655 -13.590 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.286 -9.360 -11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.109 -7.714 -11.982 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.493 -11.147 -12.775 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.657 -10.837 -14.067 1.00 0.00 H new ATOM 766 N ALA A 48 5.283 -8.778 -11.812 1.00 0.00 N ATOM 767 CA ALA A 48 6.604 -9.380 -11.847 1.00 0.00 C ATOM 768 C ALA A 48 6.572 -10.734 -11.121 1.00 0.00 C ATOM 769 O ALA A 48 7.170 -11.697 -11.611 1.00 0.00 O ATOM 770 CB ALA A 48 7.583 -8.463 -11.122 1.00 0.00 C ATOM 0 H ALA A 48 5.262 -7.870 -11.347 1.00 0.00 H new ATOM 0 HA ALA A 48 6.911 -9.524 -12.883 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.579 -8.905 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.607 -7.492 -11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.264 -8.335 -10.088 1.00 0.00 H new ATOM 776 N GLY A 49 5.849 -10.817 -9.997 1.00 0.00 N ATOM 777 CA GLY A 49 5.760 -11.985 -9.134 1.00 0.00 C ATOM 778 C GLY A 49 7.017 -12.094 -8.281 1.00 0.00 C ATOM 779 O GLY A 49 7.989 -12.738 -8.678 1.00 0.00 O ATOM 0 H GLY A 49 5.289 -10.035 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.881 -11.909 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.639 -12.885 -9.737 1.00 0.00 H new ATOM 783 N GLY A 50 7.005 -11.454 -7.117 1.00 0.00 N ATOM 784 CA GLY A 50 8.109 -11.396 -6.166 1.00 0.00 C ATOM 785 C GLY A 50 7.899 -10.273 -5.150 1.00 0.00 C ATOM 786 O GLY A 50 8.320 -10.405 -3.999 1.00 0.00 O ATOM 0 H GLY A 50 6.186 -10.937 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.196 -12.350 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.046 -11.237 -6.700 1.00 0.00 H new ATOM 790 N TYR A 51 7.210 -9.195 -5.540 1.00 0.00 N ATOM 791 CA TYR A 51 6.681 -8.187 -4.627 1.00 0.00 C ATOM 792 C TYR A 51 5.817 -8.867 -3.569 1.00 0.00 C ATOM 793 O TYR A 51 5.066 -9.793 -3.882 1.00 0.00 O ATOM 794 CB TYR A 51 5.857 -7.141 -5.390 1.00 0.00 C ATOM 795 CG TYR A 51 6.696 -6.080 -6.073 1.00 0.00 C ATOM 796 CD1 TYR A 51 7.087 -4.937 -5.355 1.00 0.00 C ATOM 797 CD2 TYR A 51 7.082 -6.226 -7.418 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.831 -3.926 -5.985 1.00 0.00 C ATOM 799 CE2 TYR A 51 7.858 -5.236 -8.045 1.00 0.00 C ATOM 800 CZ TYR A 51 8.218 -4.070 -7.337 1.00 0.00 C ATOM 801 OH TYR A 51 8.904 -3.073 -7.966 1.00 0.00 O ATOM 0 H TYR A 51 7.003 -8.999 -6.519 1.00 0.00 H new ATOM 0 HA TYR A 51 7.514 -7.676 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.249 -7.648 -6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.170 -6.657 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.814 -4.836 -4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.781 -7.103 -7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.108 -3.038 -5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.178 -5.368 -9.068 1.00 0.00 H new ATOM 0 HH TYR A 51 9.091 -3.338 -8.891 1.00 0.00 H new ATOM 811 N GLY A 52 5.905 -8.393 -2.328 1.00 0.00 N ATOM 812 CA GLY A 52 5.239 -9.015 -1.195 1.00 0.00 C ATOM 813 C GLY A 52 4.214 -8.114 -0.514 1.00 0.00 C ATOM 814 O GLY A 52 3.370 -8.623 0.224 1.00 0.00 O ATOM 0 H GLY A 52 6.444 -7.562 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.742 -9.925 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.990 -9.314 -0.463 1.00 0.00 H new ATOM 818 N PHE A 53 4.270 -6.797 -0.734 1.00 0.00 N ATOM 819 CA PHE A 53 3.417 -5.818 -0.070 1.00 0.00 C ATOM 820 C PHE A 53 3.220 -4.644 -1.025 1.00 0.00 C ATOM 821 O PHE A 53 4.129 -4.323 -1.798 1.00 0.00 O ATOM 822 CB PHE A 53 4.111 -5.357 1.217 1.00 0.00 C ATOM 823 CG PHE A 53 3.218 -4.786 2.303 1.00 0.00 C ATOM 824 CD1 PHE A 53 2.593 -3.532 2.155 1.00 0.00 C ATOM 825 CD2 PHE A 53 3.117 -5.464 3.531 1.00 0.00 C ATOM 826 CE1 PHE A 53 1.861 -2.975 3.217 1.00 0.00 C ATOM 827 CE2 PHE A 53 2.426 -4.885 4.604 1.00 0.00 C ATOM 828 CZ PHE A 53 1.788 -3.643 4.449 1.00 0.00 C ATOM 0 H PHE A 53 4.925 -6.377 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 53 2.447 -6.244 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.654 -6.205 1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.852 -4.602 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.677 -2.996 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.574 -6.436 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.353 -2.031 3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.384 -5.396 5.555 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.245 -3.205 5.273 1.00 0.00 H new ATOM 838 N VAL A 54 2.056 -3.996 -0.976 1.00 0.00 N ATOM 839 CA VAL A 54 1.630 -3.008 -1.960 1.00 0.00 C ATOM 840 C VAL A 54 1.126 -1.790 -1.199 1.00 0.00 C ATOM 841 O VAL A 54 0.318 -1.921 -0.279 1.00 0.00 O ATOM 842 CB VAL A 54 0.546 -3.625 -2.872 1.00 0.00 C ATOM 843 CG1 VAL A 54 0.352 -2.871 -4.187 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.909 -5.050 -3.265 1.00 0.00 C ATOM 0 H VAL A 54 1.371 -4.148 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 54 2.451 -2.701 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.367 -3.576 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.424 -3.360 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.054 -1.844 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.287 -2.870 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.129 -5.460 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.858 -5.049 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.001 -5.663 -2.368 1.00 0.00 H new ATOM 854 N ILE A 55 1.633 -0.611 -1.537 1.00 0.00 N ATOM 855 CA ILE A 55 1.226 0.652 -0.958 1.00 0.00 C ATOM 856 C ILE A 55 0.997 1.625 -2.103 1.00 0.00 C ATOM 857 O ILE A 55 1.820 1.710 -3.018 1.00 0.00 O ATOM 858 CB ILE A 55 2.218 1.163 0.115 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.705 0.012 1.027 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.534 2.278 0.923 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.492 0.421 2.268 1.00 0.00 C ATOM 0 H ILE A 55 2.361 -0.510 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 55 0.295 0.534 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 55 3.107 1.565 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.836 -0.562 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.327 -0.656 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.220 2.649 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.257 3.094 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.639 1.883 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.779 -0.470 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.388 0.965 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.873 1.060 2.897 1.00 0.00 H new ATOM 873 N SER A 56 -0.127 2.334 -2.080 1.00 0.00 N ATOM 874 CA SER A 56 -0.423 3.305 -3.130 1.00 0.00 C ATOM 875 C SER A 56 -1.307 4.431 -2.609 1.00 0.00 C ATOM 876 O SER A 56 -1.967 4.281 -1.575 1.00 0.00 O ATOM 877 CB SER A 56 -1.041 2.593 -4.345 1.00 0.00 C ATOM 878 OG SER A 56 -2.037 1.653 -3.965 1.00 0.00 O ATOM 0 H SER A 56 -0.841 2.257 -1.356 1.00 0.00 H new ATOM 0 HA SER A 56 0.508 3.769 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.479 3.334 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.256 2.083 -4.903 1.00 0.00 H new ATOM 0 HG SER A 56 -1.958 0.850 -4.522 1.00 0.00 H new ATOM 884 N ASP A 57 -1.322 5.550 -3.338 1.00 0.00 N ATOM 885 CA ASP A 57 -2.278 6.624 -3.102 1.00 0.00 C ATOM 886 C ASP A 57 -3.679 6.184 -3.532 1.00 0.00 C ATOM 887 O ASP A 57 -3.860 5.163 -4.199 1.00 0.00 O ATOM 888 CB ASP A 57 -1.861 7.902 -3.847 1.00 0.00 C ATOM 889 CG ASP A 57 -2.292 9.149 -3.081 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.509 9.446 -3.020 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.422 9.826 -2.490 1.00 0.00 O ATOM 0 H ASP A 57 -0.673 5.732 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.292 6.846 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.780 7.911 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.308 7.909 -4.841 1.00 0.00 H new ATOM 896 N TRP A 58 -4.685 6.983 -3.186 1.00 0.00 N ATOM 897 CA TRP A 58 -5.967 6.953 -3.859 1.00 0.00 C ATOM 898 C TRP A 58 -5.875 7.743 -5.162 1.00 0.00 C ATOM 899 O TRP A 58 -6.232 7.228 -6.220 1.00 0.00 O ATOM 900 CB TRP A 58 -7.054 7.548 -2.959 1.00 0.00 C ATOM 901 CG TRP A 58 -8.415 7.490 -3.578 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.874 8.283 -4.574 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.483 6.536 -3.324 1.00 0.00 C ATOM 904 NE1 TRP A 58 -10.106 7.836 -4.996 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.527 6.754 -4.265 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.666 5.505 -2.388 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.670 5.949 -4.297 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.841 4.740 -2.363 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.832 4.954 -3.333 1.00 0.00 C ATOM 0 H TRP A 58 -4.628 7.667 -2.431 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.230 5.919 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.068 7.011 -2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.806 8.585 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.352 9.138 -4.977 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.639 8.257 -5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.885 5.297 -1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.420 6.096 -5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.983 3.989 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.724 4.346 -3.333 1.00 0.00 H new ATOM 920 N ASN A 59 -5.503 9.022 -5.064 1.00 0.00 N ATOM 921 CA ASN A 59 -5.767 10.014 -6.094 1.00 0.00 C ATOM 922 C ASN A 59 -4.783 9.831 -7.223 1.00 0.00 C ATOM 923 O ASN A 59 -3.595 10.107 -7.050 1.00 0.00 O ATOM 924 CB ASN A 59 -5.686 11.444 -5.533 1.00 0.00 C ATOM 925 CG ASN A 59 -6.984 11.859 -4.855 1.00 0.00 C ATOM 926 OD1 ASN A 59 -8.069 11.571 -5.351 1.00 0.00 O ATOM 927 ND2 ASN A 59 -6.909 12.532 -3.723 1.00 0.00 N ATOM 0 H ASN A 59 -5.005 9.396 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.781 9.870 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.866 11.508 -4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.460 12.139 -6.341 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.762 12.822 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.998 12.762 -3.326 1.00 0.00 H new ATOM 934 N MET A 60 -5.273 9.389 -8.378 1.00 0.00 N ATOM 935 CA MET A 60 -4.471 9.196 -9.577 1.00 0.00 C ATOM 936 C MET A 60 -4.983 10.081 -10.721 1.00 0.00 C ATOM 937 O MET A 60 -6.047 10.689 -10.590 1.00 0.00 O ATOM 938 CB MET A 60 -4.543 7.709 -9.922 1.00 0.00 C ATOM 939 CG MET A 60 -3.455 6.923 -9.187 1.00 0.00 C ATOM 940 SD MET A 60 -1.896 6.866 -10.094 1.00 0.00 S ATOM 941 CE MET A 60 -2.416 5.983 -11.605 1.00 0.00 C ATOM 0 H MET A 60 -6.257 9.151 -8.507 1.00 0.00 H new ATOM 0 HA MET A 60 -3.434 9.489 -9.413 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.524 7.317 -9.654 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.429 7.576 -10.998 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.285 7.375 -8.210 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.805 5.906 -9.011 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.536 5.711 -12.188 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.962 5.081 -11.329 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.060 6.630 -12.201 1.00 0.00 H new ATOM 951 N PRO A 61 -4.245 10.175 -11.842 1.00 0.00 N ATOM 952 CA PRO A 61 -4.742 10.743 -13.090 1.00 0.00 C ATOM 953 C PRO A 61 -5.529 9.731 -13.940 1.00 0.00 C ATOM 954 O PRO A 61 -5.981 10.079 -15.034 1.00 0.00 O ATOM 955 CB PRO A 61 -3.477 11.193 -13.828 1.00 0.00 C ATOM 956 CG PRO A 61 -2.452 10.138 -13.423 1.00 0.00 C ATOM 957 CD PRO A 61 -2.836 9.833 -11.979 1.00 0.00 C ATOM 0 HA PRO A 61 -5.446 11.553 -12.898 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.626 11.218 -14.907 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.168 12.194 -13.526 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.513 9.251 -14.054 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.432 10.514 -13.500 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.668 8.781 -11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.227 10.413 -11.285 1.00 0.00 H new ATOM 965 N ASN A 62 -5.621 8.461 -13.522 1.00 0.00 N ATOM 966 CA ASN A 62 -5.975 7.368 -14.418 1.00 0.00 C ATOM 967 C ASN A 62 -6.688 6.258 -13.649 1.00 0.00 C ATOM 968 O ASN A 62 -7.916 6.257 -13.558 1.00 0.00 O ATOM 969 CB ASN A 62 -4.708 6.895 -15.167 1.00 0.00 C ATOM 970 CG ASN A 62 -5.068 6.107 -16.416 1.00 0.00 C ATOM 971 OD1 ASN A 62 -5.888 5.195 -16.381 1.00 0.00 O ATOM 972 ND2 ASN A 62 -4.463 6.425 -17.543 1.00 0.00 N ATOM 0 H ASN A 62 -5.452 8.171 -12.559 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.685 7.705 -15.174 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.101 7.758 -15.441 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.102 6.276 -14.506 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.675 5.911 -18.398 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.783 7.185 -17.560 1.00 0.00 H new ATOM 979 N MET A 63 -5.930 5.279 -13.156 1.00 0.00 N ATOM 980 CA MET A 63 -6.386 4.173 -12.331 1.00 0.00 C ATOM 981 C MET A 63 -6.261 4.604 -10.869 1.00 0.00 C ATOM 982 O MET A 63 -5.168 4.497 -10.315 1.00 0.00 O ATOM 983 CB MET A 63 -5.556 2.925 -12.681 1.00 0.00 C ATOM 984 CG MET A 63 -6.068 1.653 -11.996 1.00 0.00 C ATOM 985 SD MET A 63 -5.100 0.147 -12.326 1.00 0.00 S ATOM 986 CE MET A 63 -5.284 -0.021 -14.120 1.00 0.00 C ATOM 0 H MET A 63 -4.927 5.239 -13.334 1.00 0.00 H new ATOM 0 HA MET A 63 -7.429 3.914 -12.511 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.568 2.779 -13.761 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.518 3.093 -12.393 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.088 1.823 -10.920 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.097 1.480 -12.311 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.897 -0.989 -14.436 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.338 0.053 -14.386 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.728 0.773 -14.619 1.00 0.00 H new ATOM 996 N ASP A 64 -7.335 5.116 -10.260 1.00 0.00 N ATOM 997 CA ASP A 64 -7.423 5.433 -8.831 1.00 0.00 C ATOM 998 C ASP A 64 -6.989 4.206 -8.037 1.00 0.00 C ATOM 999 O ASP A 64 -7.192 3.064 -8.471 1.00 0.00 O ATOM 1000 CB ASP A 64 -8.863 5.793 -8.426 1.00 0.00 C ATOM 1001 CG ASP A 64 -9.265 7.268 -8.392 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -8.435 8.195 -8.549 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -10.485 7.486 -8.188 1.00 0.00 O ATOM 0 H ASP A 64 -8.196 5.328 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.780 6.289 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.538 5.281 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.042 5.378 -7.434 1.00 0.00 H new ATOM 1008 N GLY A 65 -6.500 4.426 -6.817 1.00 0.00 N ATOM 1009 CA GLY A 65 -6.079 3.372 -5.906 1.00 0.00 C ATOM 1010 C GLY A 65 -7.163 2.320 -5.671 1.00 0.00 C ATOM 1011 O GLY A 65 -6.833 1.183 -5.340 1.00 0.00 O ATOM 0 H GLY A 65 -6.385 5.363 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.189 2.886 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.797 3.815 -4.951 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.443 2.668 -5.853 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.561 1.736 -5.778 1.00 0.00 C ATOM 1017 C LEU A 66 -9.532 0.762 -6.947 1.00 0.00 C ATOM 1018 O LEU A 66 -9.596 -0.446 -6.734 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.889 2.514 -5.752 1.00 0.00 C ATOM 1020 CG LEU A 66 -12.071 1.826 -5.056 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.597 0.552 -5.711 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.729 1.462 -3.617 1.00 0.00 C ATOM 0 H LEU A 66 -8.730 3.625 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.473 1.158 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.714 3.471 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.178 2.731 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.855 2.580 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.430 0.160 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.936 0.776 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.801 -0.192 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.586 0.976 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.877 0.782 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.479 2.366 -3.063 1.00 0.00 H new ATOM 1034 N GLU A 67 -9.445 1.268 -8.176 1.00 0.00 N ATOM 1035 CA GLU A 67 -9.423 0.427 -9.362 1.00 0.00 C ATOM 1036 C GLU A 67 -8.116 -0.363 -9.424 1.00 0.00 C ATOM 1037 O GLU A 67 -8.135 -1.517 -9.856 1.00 0.00 O ATOM 1038 CB GLU A 67 -9.660 1.252 -10.636 1.00 0.00 C ATOM 1039 CG GLU A 67 -11.050 1.913 -10.630 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.561 2.190 -12.047 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -10.949 3.008 -12.773 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -12.547 1.539 -12.467 1.00 0.00 O ATOM 0 H GLU A 67 -9.388 2.267 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.243 -0.289 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.891 2.020 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.566 0.608 -11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.757 1.266 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.004 2.848 -10.072 1.00 0.00 H new ATOM 1049 N LEU A 68 -7.007 0.196 -8.929 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.747 -0.522 -8.763 1.00 0.00 C ATOM 1051 C LEU A 68 -5.969 -1.713 -7.833 1.00 0.00 C ATOM 1052 O LEU A 68 -5.822 -2.842 -8.293 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.645 0.431 -8.275 1.00 0.00 C ATOM 1054 CG LEU A 68 -3.266 -0.236 -8.072 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.662 -0.808 -9.363 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -2.302 0.809 -7.498 1.00 0.00 C ATOM 0 H LEU A 68 -6.962 1.170 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.404 -0.914 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.540 1.243 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.960 0.879 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.413 -1.077 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.695 -1.260 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.331 -1.564 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.531 -0.006 -10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.322 0.356 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.213 1.643 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.684 1.171 -6.544 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.412 -1.487 -6.584 1.00 0.00 N ATOM 1069 CA LEU A 69 -6.802 -2.538 -5.628 1.00 0.00 C ATOM 1070 C LEU A 69 -7.664 -3.558 -6.338 1.00 0.00 C ATOM 1071 O LEU A 69 -7.327 -4.730 -6.316 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.539 -1.936 -4.409 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.626 -2.770 -3.669 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.313 -4.211 -3.220 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.019 -1.995 -2.406 1.00 0.00 C ATOM 0 H LEU A 69 -6.511 -0.546 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.906 -3.029 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.782 -1.664 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.009 -1.010 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.394 -2.897 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.185 -4.635 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.062 -4.817 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.470 -4.202 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.781 -2.551 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.142 -1.864 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.413 -1.018 -2.686 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.762 -3.152 -6.970 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.676 -4.115 -7.569 1.00 0.00 C ATOM 1089 C LYS A 70 -9.056 -4.900 -8.716 1.00 0.00 C ATOM 1090 O LYS A 70 -9.497 -6.029 -8.947 1.00 0.00 O ATOM 1091 CB LYS A 70 -10.946 -3.418 -8.037 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.856 -3.076 -6.851 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.192 -2.587 -7.415 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.340 -2.634 -6.410 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.632 -2.464 -7.101 1.00 0.00 N ATOM 0 H LYS A 70 -9.037 -2.176 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.917 -4.838 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.687 -2.506 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.481 -4.061 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.005 -3.951 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.399 -2.307 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.073 -1.563 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.454 -3.195 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.327 -3.585 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.212 -1.849 -5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.405 -2.498 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.646 -1.546 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.757 -3.228 -7.795 1.00 0.00 H new ATOM 1109 N THR A 71 -8.078 -4.353 -9.425 1.00 0.00 N ATOM 1110 CA THR A 71 -7.345 -5.073 -10.449 1.00 0.00 C ATOM 1111 C THR A 71 -6.477 -6.145 -9.782 1.00 0.00 C ATOM 1112 O THR A 71 -6.620 -7.314 -10.122 1.00 0.00 O ATOM 1113 CB THR A 71 -6.584 -4.073 -11.330 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.489 -3.113 -11.853 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.939 -4.756 -12.533 1.00 0.00 C ATOM 0 H THR A 71 -7.771 -3.388 -9.302 1.00 0.00 H new ATOM 0 HA THR A 71 -8.010 -5.608 -11.126 1.00 0.00 H new ATOM 0 HB THR A 71 -5.818 -3.618 -10.702 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.610 -2.390 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.410 -4.015 -13.132 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.235 -5.513 -12.187 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.711 -5.229 -13.140 1.00 0.00 H new ATOM 1123 N ILE A 72 -5.677 -5.796 -8.770 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.035 -6.757 -7.867 1.00 0.00 C ATOM 1125 C ILE A 72 -6.011 -7.840 -7.379 1.00 0.00 C ATOM 1126 O ILE A 72 -5.834 -9.038 -7.605 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.207 -6.039 -6.760 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.386 -4.837 -7.290 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -3.319 -7.004 -5.977 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -2.740 -3.927 -6.236 1.00 0.00 C ATOM 0 H ILE A 72 -5.454 -4.825 -8.552 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.293 -7.321 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.948 -5.634 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.598 -5.222 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.040 -4.226 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.763 -6.453 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.939 -7.760 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.620 -7.489 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.194 -3.125 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.515 -3.499 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.051 -4.510 -5.625 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.103 -7.411 -6.758 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.181 -8.215 -6.199 1.00 0.00 C ATOM 1144 C ARG A 73 -9.030 -8.903 -7.275 1.00 0.00 C ATOM 1145 O ARG A 73 -10.096 -9.417 -6.944 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.026 -7.295 -5.298 1.00 0.00 C ATOM 1147 CG ARG A 73 -9.579 -7.944 -4.025 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.898 -8.713 -4.197 1.00 0.00 C ATOM 1149 NE ARG A 73 -11.721 -8.562 -2.993 1.00 0.00 N ATOM 1150 CZ ARG A 73 -11.369 -8.935 -1.760 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -10.466 -9.886 -1.554 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -11.926 -8.312 -0.735 1.00 0.00 N ATOM 0 H ARG A 73 -7.270 -6.414 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.759 -9.033 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.418 -6.437 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.863 -6.912 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.828 -8.628 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.727 -7.166 -3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.437 -8.338 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.694 -9.768 -4.379 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.641 -8.136 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.024 -10.350 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.214 -10.153 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.605 -7.568 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.677 -8.575 0.218 1.00 0.00 H new ATOM 1166 N ALA A 74 -8.660 -8.869 -8.560 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.424 -9.550 -9.598 1.00 0.00 C ATOM 1168 C ALA A 74 -9.337 -11.070 -9.431 1.00 0.00 C ATOM 1169 O ALA A 74 -10.283 -11.749 -9.823 1.00 0.00 O ATOM 1170 CB ALA A 74 -8.922 -9.139 -10.979 1.00 0.00 C ATOM 0 H ALA A 74 -7.835 -8.376 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.469 -9.256 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.501 -9.655 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.036 -8.062 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.870 -9.406 -11.078 1.00 0.00 H new ATOM 1176 N ASP A 75 -8.225 -11.546 -8.851 1.00 0.00 N ATOM 1177 CA ASP A 75 -7.775 -12.884 -8.436 1.00 0.00 C ATOM 1178 C ASP A 75 -6.400 -13.102 -9.049 1.00 0.00 C ATOM 1179 O ASP A 75 -5.389 -12.976 -8.358 1.00 0.00 O ATOM 1180 CB ASP A 75 -8.711 -14.088 -8.673 1.00 0.00 C ATOM 1181 CG ASP A 75 -9.551 -14.440 -7.440 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -8.974 -14.687 -6.356 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -10.796 -14.554 -7.547 1.00 0.00 O ATOM 0 H ASP A 75 -7.491 -10.875 -8.623 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.764 -12.866 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.375 -13.867 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.115 -14.954 -8.960 1.00 0.00 H new ATOM 1188 N GLY A 76 -6.338 -13.355 -10.357 1.00 0.00 N ATOM 1189 CA GLY A 76 -5.124 -13.742 -11.072 1.00 0.00 C ATOM 1190 C GLY A 76 -4.126 -12.609 -11.305 1.00 0.00 C ATOM 1191 O GLY A 76 -3.345 -12.681 -12.256 1.00 0.00 O ATOM 0 H GLY A 76 -7.155 -13.294 -10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.627 -14.535 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.407 -14.162 -12.037 1.00 0.00 H new ATOM 1195 N ALA A 77 -4.133 -11.569 -10.470 1.00 0.00 N ATOM 1196 CA ALA A 77 -3.271 -10.403 -10.543 1.00 0.00 C ATOM 1197 C ALA A 77 -2.801 -9.991 -9.143 1.00 0.00 C ATOM 1198 O ALA A 77 -2.597 -8.801 -8.916 1.00 0.00 O ATOM 1199 CB ALA A 77 -3.997 -9.273 -11.285 1.00 0.00 C ATOM 0 H ALA A 77 -4.779 -11.521 -9.682 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.372 -10.642 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.349 -8.398 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.247 -9.602 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.911 -9.015 -10.750 1.00 0.00 H new ATOM 1205 N MET A 78 -2.583 -10.957 -8.232 1.00 0.00 N ATOM 1206 CA MET A 78 -1.915 -10.772 -6.928 1.00 0.00 C ATOM 1207 C MET A 78 -2.932 -10.540 -5.820 1.00 0.00 C ATOM 1208 O MET A 78 -2.613 -9.883 -4.849 1.00 0.00 O ATOM 1209 CB MET A 78 -0.726 -9.802 -7.003 1.00 0.00 C ATOM 1210 CG MET A 78 0.188 -10.026 -8.222 1.00 0.00 C ATOM 1211 SD MET A 78 1.909 -10.430 -7.842 1.00 0.00 S ATOM 1212 CE MET A 78 1.775 -12.232 -7.754 1.00 0.00 C ATOM 0 H MET A 78 -2.877 -11.921 -8.388 1.00 0.00 H new ATOM 0 HA MET A 78 -1.425 -11.702 -6.640 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.105 -8.780 -7.028 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.133 -9.899 -6.094 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.231 -10.831 -8.825 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.172 -9.126 -8.837 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.752 -12.659 -7.526 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.067 -12.506 -6.972 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.425 -12.618 -8.711 1.00 0.00 H new ATOM 1222 N SER A 79 -4.141 -11.099 -5.896 1.00 0.00 N ATOM 1223 CA SER A 79 -5.227 -10.775 -4.972 1.00 0.00 C ATOM 1224 C SER A 79 -4.904 -10.885 -3.477 1.00 0.00 C ATOM 1225 O SER A 79 -5.482 -10.120 -2.705 1.00 0.00 O ATOM 1226 CB SER A 79 -6.440 -11.627 -5.323 1.00 0.00 C ATOM 1227 OG SER A 79 -6.091 -12.999 -5.411 1.00 0.00 O ATOM 0 H SER A 79 -4.394 -11.790 -6.602 1.00 0.00 H new ATOM 0 HA SER A 79 -5.423 -9.712 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.214 -11.493 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.860 -11.294 -6.272 1.00 0.00 H new ATOM 0 HG SER A 79 -5.837 -13.213 -6.333 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.023 -11.800 -3.049 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.663 -11.935 -1.639 1.00 0.00 C ATOM 1235 C ALA A 80 -2.722 -10.823 -1.158 1.00 0.00 C ATOM 1236 O ALA A 80 -2.547 -10.667 0.051 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.020 -13.302 -1.389 1.00 0.00 C ATOM 0 H ALA A 80 -3.547 -12.458 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.586 -11.846 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.755 -13.392 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.725 -14.090 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.121 -13.398 -1.998 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.119 -10.056 -2.073 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.229 -8.950 -1.754 1.00 0.00 C ATOM 1245 C LEU A 81 -1.976 -7.936 -0.886 1.00 0.00 C ATOM 1246 O LEU A 81 -3.075 -7.524 -1.267 1.00 0.00 O ATOM 1247 CB LEU A 81 -0.729 -8.251 -3.036 1.00 0.00 C ATOM 1248 CG LEU A 81 0.552 -8.784 -3.683 1.00 0.00 C ATOM 1249 CD1 LEU A 81 0.952 -7.905 -4.887 1.00 0.00 C ATOM 1250 CD2 LEU A 81 1.728 -8.811 -2.703 1.00 0.00 C ATOM 0 H LEU A 81 -2.243 -10.195 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.366 -9.345 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.526 -8.301 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.575 -7.197 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 81 0.336 -9.803 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.865 -8.297 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.151 -7.914 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.123 -6.883 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.614 -9.196 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.926 -7.801 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.483 -9.455 -1.858 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.417 -7.499 0.254 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.017 -6.444 1.048 1.00 0.00 C ATOM 1264 C PRO A 82 -1.883 -5.115 0.293 1.00 0.00 C ATOM 1265 O PRO A 82 -0.772 -4.599 0.178 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.264 -6.465 2.381 1.00 0.00 C ATOM 1267 CG PRO A 82 0.116 -7.010 2.019 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.175 -7.962 0.860 1.00 0.00 C ATOM 0 HA PRO A 82 -3.083 -6.578 1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.197 -5.468 2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.765 -7.100 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.798 -6.213 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.577 -7.529 2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.639 -7.952 0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.274 -8.988 1.215 1.00 0.00 H new ATOM 1276 N VAL A 83 -2.992 -4.565 -0.214 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.039 -3.250 -0.853 1.00 0.00 C ATOM 1278 C VAL A 83 -3.340 -2.189 0.209 1.00 0.00 C ATOM 1279 O VAL A 83 -4.481 -1.997 0.641 1.00 0.00 O ATOM 1280 CB VAL A 83 -3.949 -3.234 -2.105 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.829 -4.472 -3.005 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.437 -3.144 -1.790 1.00 0.00 C ATOM 0 H VAL A 83 -3.898 -5.033 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.064 -2.997 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.583 -2.341 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.503 -4.370 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.804 -4.563 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.095 -5.363 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.006 -3.138 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.734 -4.003 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.637 -2.227 -1.236 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.295 -1.571 0.749 1.00 0.00 N ATOM 1293 CA LEU A 84 -2.411 -0.529 1.753 1.00 0.00 C ATOM 1294 C LEU A 84 -2.572 0.807 1.037 1.00 0.00 C ATOM 1295 O LEU A 84 -1.698 1.237 0.279 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.212 -0.621 2.707 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.303 0.248 3.975 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -2.692 0.260 4.626 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.294 -0.275 5.009 1.00 0.00 C ATOM 0 H LEU A 84 -1.331 -1.786 0.495 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.293 -0.644 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.090 -1.661 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.312 -0.340 2.159 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.087 1.270 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.673 0.894 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.423 0.649 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.969 -0.755 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.350 0.333 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.528 -1.311 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.713 -0.219 4.595 1.00 0.00 H new ATOM 1311 N MET A 85 -3.739 1.426 1.192 1.00 0.00 N ATOM 1312 CA MET A 85 -3.970 2.743 0.633 1.00 0.00 C ATOM 1313 C MET A 85 -3.434 3.758 1.639 1.00 0.00 C ATOM 1314 O MET A 85 -3.851 3.732 2.800 1.00 0.00 O ATOM 1315 CB MET A 85 -5.457 2.980 0.417 1.00 0.00 C ATOM 1316 CG MET A 85 -6.197 1.939 -0.429 1.00 0.00 C ATOM 1317 SD MET A 85 -7.549 2.718 -1.349 1.00 0.00 S ATOM 1318 CE MET A 85 -8.220 1.271 -2.172 1.00 0.00 C ATOM 0 H MET A 85 -4.533 1.034 1.699 1.00 0.00 H new ATOM 0 HA MET A 85 -3.471 2.837 -0.332 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.940 3.033 1.393 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.583 3.955 -0.054 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.503 1.465 -1.123 1.00 0.00 H new ATOM 0 HG3 MET A 85 -6.592 1.153 0.214 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.006 1.327 -3.239 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.763 0.372 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.299 1.233 -2.020 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.534 4.641 1.221 1.00 0.00 N ATOM 1329 CA VAL A 86 -1.936 5.670 2.061 1.00 0.00 C ATOM 1330 C VAL A 86 -2.020 6.967 1.269 1.00 0.00 C ATOM 1331 O VAL A 86 -1.442 7.068 0.191 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.493 5.292 2.453 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.098 6.333 3.408 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.408 3.926 3.153 1.00 0.00 C ATOM 0 H VAL A 86 -2.191 4.660 0.261 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.464 5.782 3.008 1.00 0.00 H new ATOM 0 HB VAL A 86 0.067 5.251 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.116 6.048 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.109 7.308 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.510 6.385 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.630 3.711 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.007 3.946 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.787 3.151 2.486 1.00 0.00 H new ATOM 1344 N THR A 87 -2.793 7.934 1.761 1.00 0.00 N ATOM 1345 CA THR A 87 -2.991 9.196 1.074 1.00 0.00 C ATOM 1346 C THR A 87 -3.176 10.323 2.096 1.00 0.00 C ATOM 1347 O THR A 87 -3.091 10.135 3.316 1.00 0.00 O ATOM 1348 CB THR A 87 -4.135 9.026 0.049 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.326 10.187 -0.736 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.490 8.644 0.642 1.00 0.00 C ATOM 0 H THR A 87 -3.296 7.859 2.645 1.00 0.00 H new ATOM 0 HA THR A 87 -2.115 9.492 0.497 1.00 0.00 H new ATOM 0 HB THR A 87 -3.789 8.191 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.380 9.937 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.224 8.549 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.402 7.693 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.812 9.416 1.340 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.379 11.532 1.584 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.602 12.730 2.360 1.00 0.00 C ATOM 1360 C ALA A 88 -5.088 13.041 2.518 1.00 0.00 C ATOM 1361 O ALA A 88 -5.449 13.721 3.480 1.00 0.00 O ATOM 1362 CB ALA A 88 -2.876 13.884 1.658 1.00 0.00 C ATOM 0 H ALA A 88 -3.392 11.703 0.578 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.211 12.586 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.026 14.805 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.810 13.663 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.275 14.006 0.651 1.00 0.00 H new ATOM 1368 N GLU A 89 -5.948 12.583 1.604 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.374 12.885 1.662 1.00 0.00 C ATOM 1370 C GLU A 89 -8.130 11.819 2.443 1.00 0.00 C ATOM 1371 O GLU A 89 -7.729 10.659 2.456 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.956 13.011 0.254 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.285 14.151 -0.522 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.276 14.785 -1.493 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -8.839 14.071 -2.351 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.561 15.997 -1.345 1.00 0.00 O ATOM 0 H GLU A 89 -5.676 11.999 0.813 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.490 13.838 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.821 12.073 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.029 13.192 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.914 14.904 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.423 13.770 -1.069 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.245 12.211 3.060 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.167 11.293 3.701 1.00 0.00 C ATOM 1385 C ALA A 90 -11.211 10.835 2.690 1.00 0.00 C ATOM 1386 O ALA A 90 -11.055 9.759 2.133 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.766 11.931 4.955 1.00 0.00 C ATOM 0 H ALA A 90 -9.530 13.188 3.126 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.642 10.400 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.456 11.231 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.967 12.179 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.302 12.839 4.680 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.250 11.644 2.437 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.462 11.266 1.707 1.00 0.00 C ATOM 1395 C LYS A 91 -14.077 10.000 2.311 1.00 0.00 C ATOM 1396 O LYS A 91 -13.647 8.877 2.041 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.149 11.120 0.208 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.412 10.944 -0.649 1.00 0.00 C ATOM 1399 CD LYS A 91 -14.841 12.248 -1.321 1.00 0.00 C ATOM 1400 CE LYS A 91 -13.946 12.550 -2.531 1.00 0.00 C ATOM 1401 NZ LYS A 91 -14.399 13.756 -3.246 1.00 0.00 N ATOM 0 H LYS A 91 -12.267 12.615 2.748 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.209 12.054 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.604 12.001 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.493 10.262 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.229 10.187 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.225 10.575 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.881 12.175 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.784 13.068 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.917 12.687 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.951 11.698 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.774 13.933 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.373 13.615 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.370 14.572 -2.602 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.129 10.146 3.123 1.00 0.00 N ATOM 1416 CA LYS A 92 -15.758 8.970 3.721 1.00 0.00 C ATOM 1417 C LYS A 92 -16.152 7.975 2.636 1.00 0.00 C ATOM 1418 O LYS A 92 -15.973 6.781 2.826 1.00 0.00 O ATOM 1419 CB LYS A 92 -16.970 9.336 4.579 1.00 0.00 C ATOM 1420 CG LYS A 92 -17.190 8.269 5.660 1.00 0.00 C ATOM 1421 CD LYS A 92 -18.632 8.257 6.178 1.00 0.00 C ATOM 1422 CE LYS A 92 -18.783 7.345 7.401 1.00 0.00 C ATOM 1423 NZ LYS A 92 -18.341 5.952 7.170 1.00 0.00 N ATOM 0 H LYS A 92 -15.551 11.040 3.374 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.025 8.508 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -16.816 10.310 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.858 9.419 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.943 7.288 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.509 8.451 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.934 9.271 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.301 7.919 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.210 7.765 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.829 7.337 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.133 5.498 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.095 5.425 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.484 5.953 6.580 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.622 8.444 1.482 1.00 0.00 N ATOM 1438 CA GLU A 93 -16.992 7.566 0.385 1.00 0.00 C ATOM 1439 C GLU A 93 -15.807 6.735 -0.130 1.00 0.00 C ATOM 1440 O GLU A 93 -16.006 5.574 -0.495 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.611 8.425 -0.718 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.361 7.561 -1.734 1.00 0.00 C ATOM 1443 CD GLU A 93 -19.291 8.362 -2.642 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -19.875 9.378 -2.197 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -19.530 7.915 -3.787 1.00 0.00 O ATOM 0 H GLU A 93 -16.755 9.436 1.286 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.719 6.834 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.295 9.150 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.829 8.991 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.637 7.026 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.944 6.810 -1.201 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.585 7.286 -0.108 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.360 6.536 -0.394 1.00 0.00 C ATOM 1454 C ASN A 94 -13.151 5.479 0.680 1.00 0.00 C ATOM 1455 O ASN A 94 -12.833 4.341 0.342 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.090 7.406 -0.433 1.00 0.00 C ATOM 1457 CG ASN A 94 -11.950 8.308 -1.650 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.816 8.377 -2.517 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -10.860 9.054 -1.712 1.00 0.00 N ATOM 0 H ASN A 94 -14.421 8.269 0.110 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.502 6.104 -1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.069 8.027 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.220 6.751 -0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.728 9.701 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.151 8.983 -0.982 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.332 5.825 1.964 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.238 4.836 3.045 1.00 0.00 C ATOM 1468 C ILE A 95 -14.213 3.679 2.777 1.00 0.00 C ATOM 1469 O ILE A 95 -13.785 2.522 2.833 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.414 5.468 4.455 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.125 6.159 4.946 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -13.794 4.411 5.514 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -11.865 7.532 4.323 1.00 0.00 C ATOM 0 H ILE A 95 -13.542 6.773 2.276 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.227 4.429 3.050 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.214 6.200 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.177 6.269 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.276 5.510 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -13.908 4.893 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.734 3.936 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.009 3.657 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.939 7.944 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.778 7.430 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.693 8.201 4.559 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.494 3.966 2.490 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.488 2.939 2.172 1.00 0.00 C ATOM 1487 C ILE A 96 -15.945 2.091 1.026 1.00 0.00 C ATOM 1488 O ILE A 96 -15.844 0.879 1.178 1.00 0.00 O ATOM 1489 CB ILE A 96 -17.894 3.526 1.856 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.685 3.906 3.130 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.787 2.525 1.099 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -18.352 5.276 3.699 1.00 0.00 C ATOM 0 H ILE A 96 -15.864 4.916 2.473 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.645 2.315 3.052 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.682 4.408 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.751 3.871 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.497 3.154 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.757 2.980 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.313 2.256 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.923 1.629 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -18.954 5.456 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.295 5.314 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.568 6.042 2.954 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.596 2.711 -0.103 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.176 2.007 -1.301 1.00 0.00 C ATOM 1506 C ALA A 97 -13.981 1.097 -1.009 1.00 0.00 C ATOM 1507 O ALA A 97 -13.993 -0.067 -1.403 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.839 3.022 -2.390 1.00 0.00 C ATOM 0 H ALA A 97 -15.599 3.726 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 97 -15.991 1.372 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.523 2.497 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.720 3.625 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.033 3.670 -2.046 1.00 0.00 H new ATOM 1514 N ALA A 98 -12.943 1.606 -0.340 1.00 0.00 N ATOM 1515 CA ALA A 98 -11.744 0.837 -0.043 1.00 0.00 C ATOM 1516 C ALA A 98 -12.097 -0.360 0.840 1.00 0.00 C ATOM 1517 O ALA A 98 -11.621 -1.466 0.583 1.00 0.00 O ATOM 1518 CB ALA A 98 -10.702 1.725 0.651 1.00 0.00 C ATOM 0 H ALA A 98 -12.916 2.564 0.009 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.319 0.470 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.810 1.138 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.439 2.556 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.116 2.113 1.582 1.00 0.00 H new ATOM 1524 N ALA A 99 -12.913 -0.156 1.881 1.00 0.00 N ATOM 1525 CA ALA A 99 -13.359 -1.230 2.761 1.00 0.00 C ATOM 1526 C ALA A 99 -14.249 -2.246 2.029 1.00 0.00 C ATOM 1527 O ALA A 99 -14.193 -3.435 2.344 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.103 -0.615 3.953 1.00 0.00 C ATOM 0 H ALA A 99 -13.280 0.762 2.133 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.484 -1.779 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.442 -1.408 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.433 0.052 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.964 -0.051 3.593 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.053 -1.789 1.068 1.00 0.00 N ATOM 1535 CA GLN A 100 -15.957 -2.578 0.240 1.00 0.00 C ATOM 1536 C GLN A 100 -15.181 -3.459 -0.734 1.00 0.00 C ATOM 1537 O GLN A 100 -15.420 -4.669 -0.784 1.00 0.00 O ATOM 1538 CB GLN A 100 -16.889 -1.630 -0.531 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.095 -1.187 0.303 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.188 -2.241 0.201 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -19.879 -2.320 -0.813 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -19.333 -3.111 1.183 1.00 0.00 N ATOM 0 H GLN A 100 -15.090 -0.797 0.835 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.545 -3.232 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.327 -0.751 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.240 -2.127 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.802 -1.049 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.466 -0.226 -0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.755 -3.037 2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.023 -3.858 1.105 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.258 -2.874 -1.506 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.333 -3.630 -2.329 1.00 0.00 C ATOM 1553 C ALA A 101 -12.578 -4.614 -1.435 1.00 0.00 C ATOM 1554 O ALA A 101 -12.529 -5.801 -1.755 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.398 -2.669 -3.066 1.00 0.00 C ATOM 0 H ALA A 101 -14.139 -1.863 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.863 -4.204 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.704 -3.239 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.985 -2.004 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.838 -2.079 -2.341 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.086 -4.147 -0.284 1.00 0.00 N ATOM 1562 CA GLY A 102 -11.541 -4.961 0.793 1.00 0.00 C ATOM 1563 C GLY A 102 -10.042 -4.752 0.956 1.00 0.00 C ATOM 1564 O GLY A 102 -9.318 -5.735 1.134 1.00 0.00 O ATOM 0 H GLY A 102 -12.058 -3.149 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.046 -4.714 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.742 -6.013 0.591 1.00 0.00 H new ATOM 1568 N ALA A 103 -9.580 -3.500 0.871 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.167 -3.130 0.914 1.00 0.00 C ATOM 1570 C ALA A 103 -7.532 -3.561 2.249 1.00 0.00 C ATOM 1571 O ALA A 103 -8.252 -3.789 3.226 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.038 -1.605 0.706 1.00 0.00 C ATOM 0 H ALA A 103 -10.199 -2.696 0.768 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.632 -3.646 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.986 -1.321 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.459 -1.333 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.578 -1.083 1.496 1.00 0.00 H new ATOM 1578 N SER A 104 -6.197 -3.571 2.332 1.00 0.00 N ATOM 1579 CA SER A 104 -5.443 -3.769 3.574 1.00 0.00 C ATOM 1580 C SER A 104 -5.969 -2.792 4.629 1.00 0.00 C ATOM 1581 O SER A 104 -6.281 -3.175 5.759 1.00 0.00 O ATOM 1582 CB SER A 104 -3.950 -3.564 3.286 1.00 0.00 C ATOM 1583 OG SER A 104 -3.142 -3.560 4.439 1.00 0.00 O ATOM 0 H SER A 104 -5.597 -3.438 1.518 1.00 0.00 H new ATOM 0 HA SER A 104 -5.572 -4.780 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.607 -4.353 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.818 -2.619 2.758 1.00 0.00 H new ATOM 0 HG SER A 104 -2.206 -3.427 4.182 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.169 -1.543 4.219 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.850 -0.514 4.965 1.00 0.00 C ATOM 1591 C GLY A 105 -6.703 0.787 4.197 1.00 0.00 C ATOM 1592 O GLY A 105 -5.947 0.859 3.220 1.00 0.00 O ATOM 0 H GLY A 105 -5.840 -1.215 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.903 -0.767 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.423 -0.419 5.963 1.00 0.00 H new ATOM 1596 N TYR A 106 -7.402 1.815 4.668 1.00 0.00 N ATOM 1597 CA TYR A 106 -7.177 3.185 4.251 1.00 0.00 C ATOM 1598 C TYR A 106 -6.356 3.860 5.341 1.00 0.00 C ATOM 1599 O TYR A 106 -6.578 3.605 6.530 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.528 3.873 4.007 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.472 5.028 3.034 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.093 4.773 1.710 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -8.821 6.334 3.417 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.020 5.812 0.777 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -8.866 7.357 2.450 1.00 0.00 C ATOM 1606 CZ TYR A 106 -8.499 7.096 1.114 1.00 0.00 C ATOM 1607 OH TYR A 106 -8.642 8.049 0.150 1.00 0.00 O ATOM 0 H TYR A 106 -8.147 1.714 5.357 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.626 3.245 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.237 3.134 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.916 4.234 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.855 3.764 1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.054 6.553 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.597 5.632 -0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.184 8.349 2.734 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.355 8.917 0.503 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.412 4.709 4.963 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.599 5.516 5.853 1.00 0.00 C ATOM 1619 C VAL A 107 -4.661 6.927 5.290 1.00 0.00 C ATOM 1620 O VAL A 107 -4.408 7.135 4.103 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.162 4.963 5.913 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.242 5.859 6.743 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.105 3.566 6.543 1.00 0.00 C ATOM 0 H VAL A 107 -5.183 4.859 3.980 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.960 5.502 6.882 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.829 4.925 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.239 5.434 6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.207 6.854 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.624 5.929 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.072 3.218 6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.494 3.610 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.709 2.876 5.953 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.001 7.883 6.150 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.083 9.291 5.806 1.00 0.00 C ATOM 1635 C VAL A 108 -4.055 10.001 6.675 1.00 0.00 C ATOM 1636 O VAL A 108 -3.921 9.670 7.856 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.513 9.827 6.031 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.634 11.246 5.469 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.564 8.928 5.371 1.00 0.00 C ATOM 0 H VAL A 108 -5.231 7.692 7.125 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.868 9.464 4.751 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.697 9.835 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.646 11.617 5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.923 11.899 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.420 11.234 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.558 9.338 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.380 8.881 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.503 7.925 5.794 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.324 10.970 6.127 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.502 11.857 6.949 1.00 0.00 C ATOM 1651 C LYS A 109 -3.393 12.580 7.975 1.00 0.00 C ATOM 1652 O LYS A 109 -4.474 13.034 7.584 1.00 0.00 O ATOM 1653 CB LYS A 109 -1.780 12.869 6.059 1.00 0.00 C ATOM 1654 CG LYS A 109 -0.667 12.210 5.232 1.00 0.00 C ATOM 1655 CD LYS A 109 0.006 13.155 4.229 1.00 0.00 C ATOM 1656 CE LYS A 109 0.665 14.358 4.909 1.00 0.00 C ATOM 1657 NZ LYS A 109 -0.246 15.515 5.047 1.00 0.00 N ATOM 0 H LYS A 109 -3.284 11.160 5.126 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.755 11.270 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.499 13.342 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.354 13.658 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.091 11.816 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.084 11.360 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.758 12.604 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.736 13.508 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.019 14.061 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.541 14.659 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.159 16.336 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.170 15.281 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.368 15.742 6.054 1.00 0.00 H new ATOM 1671 N PRO A 110 -2.964 12.769 9.235 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.698 12.330 9.805 1.00 0.00 C ATOM 1673 C PRO A 110 -1.699 10.819 10.064 1.00 0.00 C ATOM 1674 O PRO A 110 -2.605 10.272 10.697 1.00 0.00 O ATOM 1675 CB PRO A 110 -1.559 13.111 11.114 1.00 0.00 C ATOM 1676 CG PRO A 110 -3.003 13.297 11.567 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.741 13.481 10.240 1.00 0.00 C ATOM 0 HA PRO A 110 -0.864 12.516 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.974 12.560 11.851 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.059 14.067 10.961 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.370 12.432 12.120 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.116 14.163 12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.754 13.084 10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.828 14.538 9.987 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.637 10.153 9.614 1.00 0.00 N ATOM 1686 CA PHE A 111 -0.339 8.769 9.948 1.00 0.00 C ATOM 1687 C PHE A 111 1.120 8.652 10.382 1.00 0.00 C ATOM 1688 O PHE A 111 1.958 9.513 10.078 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.670 7.855 8.764 1.00 0.00 C ATOM 1690 CG PHE A 111 0.242 8.018 7.569 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.471 7.334 7.529 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.145 8.830 6.488 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.326 7.496 6.430 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.712 8.987 5.387 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.952 8.332 5.369 1.00 0.00 C ATOM 0 H PHE A 111 0.054 10.574 8.993 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.961 8.446 10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.627 6.819 9.099 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.696 8.046 8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.755 6.685 8.344 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.101 9.333 6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.273 6.977 6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.417 9.611 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.622 8.472 4.534 1.00 0.00 H new ATOM 1705 N THR A 112 1.400 7.576 11.108 1.00 0.00 N ATOM 1706 CA THR A 112 2.614 7.297 11.857 1.00 0.00 C ATOM 1707 C THR A 112 2.795 5.779 11.934 1.00 0.00 C ATOM 1708 O THR A 112 1.888 5.024 11.570 1.00 0.00 O ATOM 1709 CB THR A 112 2.490 7.941 13.257 1.00 0.00 C ATOM 1710 OG1 THR A 112 1.166 7.822 13.743 1.00 0.00 O ATOM 1711 CG2 THR A 112 2.904 9.417 13.253 1.00 0.00 C ATOM 0 H THR A 112 0.726 6.815 11.193 1.00 0.00 H new ATOM 0 HA THR A 112 3.493 7.720 11.371 1.00 0.00 H new ATOM 0 HB THR A 112 3.172 7.402 13.915 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.105 8.233 14.631 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.800 9.827 14.258 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.942 9.503 12.931 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.265 9.972 12.567 1.00 0.00 H new ATOM 1719 N ALA A 113 3.947 5.320 12.425 1.00 0.00 N ATOM 1720 CA ALA A 113 4.213 3.908 12.644 1.00 0.00 C ATOM 1721 C ALA A 113 3.181 3.348 13.625 1.00 0.00 C ATOM 1722 O ALA A 113 2.680 2.253 13.410 1.00 0.00 O ATOM 1723 CB ALA A 113 5.651 3.702 13.125 1.00 0.00 C ATOM 0 H ALA A 113 4.725 5.928 12.682 1.00 0.00 H new ATOM 0 HA ALA A 113 4.117 3.360 11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 113 5.833 2.639 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.344 4.080 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 113 5.802 4.240 14.061 1.00 0.00 H new ATOM 1729 N ALA A 114 2.764 4.143 14.618 1.00 0.00 N ATOM 1730 CA ALA A 114 1.713 3.793 15.569 1.00 0.00 C ATOM 1731 C ALA A 114 0.348 3.484 14.936 1.00 0.00 C ATOM 1732 O ALA A 114 -0.487 2.905 15.631 1.00 0.00 O ATOM 1733 CB ALA A 114 1.549 4.927 16.583 1.00 0.00 C ATOM 0 H ALA A 114 3.160 5.068 14.783 1.00 0.00 H new ATOM 0 HA ALA A 114 2.040 2.868 16.044 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.765 4.668 17.294 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.488 5.077 17.116 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.278 5.845 16.062 1.00 0.00 H new ATOM 1739 N THR A 115 0.099 3.834 13.666 1.00 0.00 N ATOM 1740 CA THR A 115 -1.111 3.413 12.964 1.00 0.00 C ATOM 1741 C THR A 115 -0.779 2.393 11.865 1.00 0.00 C ATOM 1742 O THR A 115 -1.570 1.472 11.643 1.00 0.00 O ATOM 1743 CB THR A 115 -1.922 4.645 12.507 1.00 0.00 C ATOM 1744 OG1 THR A 115 -3.306 4.368 12.563 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.610 5.151 11.097 1.00 0.00 C ATOM 0 H THR A 115 0.726 4.411 13.106 1.00 0.00 H new ATOM 0 HA THR A 115 -1.774 2.875 13.642 1.00 0.00 H new ATOM 0 HB THR A 115 -1.625 5.431 13.201 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.810 5.157 12.273 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.233 6.017 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.559 5.434 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.815 4.362 10.374 1.00 0.00 H new ATOM 1753 N LEU A 116 0.398 2.509 11.227 1.00 0.00 N ATOM 1754 CA LEU A 116 0.945 1.546 10.264 1.00 0.00 C ATOM 1755 C LEU A 116 0.943 0.155 10.907 1.00 0.00 C ATOM 1756 O LEU A 116 0.422 -0.789 10.324 1.00 0.00 O ATOM 1757 CB LEU A 116 2.370 2.002 9.862 1.00 0.00 C ATOM 1758 CG LEU A 116 3.066 1.382 8.630 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.109 -0.140 8.653 1.00 0.00 C ATOM 1760 CD2 LEU A 116 2.481 1.838 7.289 1.00 0.00 C ATOM 0 H LEU A 116 1.016 3.307 11.375 1.00 0.00 H new ATOM 0 HA LEU A 116 0.340 1.499 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.332 3.080 9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.019 1.829 10.721 1.00 0.00 H new ATOM 0 HG LEU A 116 4.084 1.763 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.612 -0.503 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.653 -0.475 9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.092 -0.532 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.023 1.359 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.428 1.560 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.575 2.920 7.200 1.00 0.00 H new ATOM 1772 N GLU A 117 1.460 0.047 12.132 1.00 0.00 N ATOM 1773 CA GLU A 117 1.613 -1.189 12.891 1.00 0.00 C ATOM 1774 C GLU A 117 0.292 -1.928 13.085 1.00 0.00 C ATOM 1775 O GLU A 117 0.265 -3.156 13.099 1.00 0.00 O ATOM 1776 CB GLU A 117 2.282 -0.865 14.238 1.00 0.00 C ATOM 1777 CG GLU A 117 1.422 -0.088 15.257 1.00 0.00 C ATOM 1778 CD GLU A 117 0.583 -0.967 16.193 1.00 0.00 C ATOM 1779 OE1 GLU A 117 1.088 -2.020 16.655 1.00 0.00 O ATOM 1780 OE2 GLU A 117 -0.525 -0.538 16.596 1.00 0.00 O ATOM 0 H GLU A 117 1.799 0.861 12.644 1.00 0.00 H new ATOM 0 HA GLU A 117 2.247 -1.868 12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.596 -1.802 14.699 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.186 -0.288 14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.078 0.539 15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.754 0.580 14.713 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.810 -1.190 13.206 1.00 0.00 N ATOM 1788 CA GLU A 118 -2.129 -1.779 13.350 1.00 0.00 C ATOM 1789 C GLU A 118 -2.644 -2.265 11.991 1.00 0.00 C ATOM 1790 O GLU A 118 -3.338 -3.280 11.926 1.00 0.00 O ATOM 1791 CB GLU A 118 -3.060 -0.736 13.972 1.00 0.00 C ATOM 1792 CG GLU A 118 -4.439 -1.318 14.298 1.00 0.00 C ATOM 1793 CD GLU A 118 -5.418 -0.245 14.749 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -5.229 0.337 15.838 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -6.420 0.008 14.038 1.00 0.00 O ATOM 0 H GLU A 118 -0.808 -0.170 13.206 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.088 -2.649 14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.608 -0.344 14.883 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.174 0.103 13.286 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.836 -1.824 13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.339 -2.070 15.081 1.00 0.00 H new ATOM 1802 N LYS A 119 -2.306 -1.579 10.889 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.601 -2.097 9.553 1.00 0.00 C ATOM 1804 C LYS A 119 -1.830 -3.398 9.348 1.00 0.00 C ATOM 1805 O LYS A 119 -2.439 -4.357 8.877 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.297 -1.089 8.430 1.00 0.00 C ATOM 1807 CG LYS A 119 -2.936 0.300 8.595 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.466 0.293 8.731 1.00 0.00 C ATOM 1809 CE LYS A 119 -4.975 1.745 8.726 1.00 0.00 C ATOM 1810 NZ LYS A 119 -6.233 1.933 9.472 1.00 0.00 N ATOM 0 H LYS A 119 -1.834 -0.675 10.899 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.674 -2.283 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.216 -0.966 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.633 -1.514 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.509 0.778 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.664 0.914 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.915 -0.266 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.760 -0.206 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.209 2.391 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.123 2.066 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.517 2.932 9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.978 1.342 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.092 1.657 10.465 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.549 -3.456 9.749 1.00 0.00 N ATOM 1825 CA LEU A 120 0.237 -4.690 9.732 1.00 0.00 C ATOM 1826 C LEU A 120 -0.489 -5.761 10.539 1.00 0.00 C ATOM 1827 O LEU A 120 -0.755 -6.832 10.012 1.00 0.00 O ATOM 1828 CB LEU A 120 1.671 -4.529 10.271 1.00 0.00 C ATOM 1829 CG LEU A 120 2.591 -3.521 9.569 1.00 0.00 C ATOM 1830 CD1 LEU A 120 3.982 -3.549 10.216 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.726 -3.786 8.066 1.00 0.00 C ATOM 0 H LEU A 120 -0.034 -2.646 10.093 1.00 0.00 H new ATOM 0 HA LEU A 120 0.334 -4.979 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.604 -4.246 11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.154 -5.505 10.234 1.00 0.00 H new ATOM 0 HG LEU A 120 2.133 -2.539 9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.631 -2.832 9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.898 -3.286 11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.406 -4.549 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.388 -3.042 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.141 -4.781 7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.745 -3.724 7.596 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.863 -5.476 11.788 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.518 -6.457 12.650 1.00 0.00 C ATOM 1845 C ASN A 121 -2.827 -6.985 12.061 1.00 0.00 C ATOM 1846 O ASN A 121 -3.156 -8.163 12.217 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.765 -5.864 14.038 1.00 0.00 C ATOM 1848 CG ASN A 121 -2.229 -6.956 14.992 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -1.558 -7.969 15.149 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -3.366 -6.790 15.643 1.00 0.00 N ATOM 0 H ASN A 121 -0.721 -4.566 12.226 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.840 -7.307 12.730 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.851 -5.404 14.414 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -2.517 -5.077 13.978 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -3.695 -7.510 16.286 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -3.915 -5.942 15.503 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.581 -6.130 11.360 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.752 -6.566 10.611 1.00 0.00 C ATOM 1859 C LYS A 122 -4.343 -7.552 9.531 1.00 0.00 C ATOM 1860 O LYS A 122 -4.844 -8.666 9.557 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.562 -5.374 10.080 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.557 -4.944 11.169 1.00 0.00 C ATOM 1863 CD LYS A 122 -7.238 -3.603 10.889 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.247 -2.465 11.156 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.924 -1.221 11.566 1.00 0.00 N ATOM 0 H LYS A 122 -3.395 -5.129 11.300 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.428 -7.094 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.899 -4.548 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.092 -5.651 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.321 -5.714 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.033 -4.883 12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.582 -3.566 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.118 -3.490 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.548 -2.770 11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.660 -2.278 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.717 -0.470 10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.951 -1.381 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.582 -0.933 12.505 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.477 -7.198 8.585 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.142 -8.125 7.498 1.00 0.00 C ATOM 1881 C ILE A 123 -2.410 -9.382 7.990 1.00 0.00 C ATOM 1882 O ILE A 123 -2.615 -10.450 7.405 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.412 -7.412 6.340 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.116 -6.724 6.808 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.404 -6.440 5.684 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -0.513 -5.703 5.847 1.00 0.00 C ATOM 0 H ILE A 123 -3.001 -6.297 8.544 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.087 -8.485 7.091 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.084 -8.142 5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.315 -6.226 7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.370 -7.494 7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.914 -5.921 4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.261 -6.996 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.742 -5.712 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.395 -5.285 6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.271 -6.191 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.231 -4.903 5.669 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.632 -9.299 9.074 1.00 0.00 N ATOM 1899 CA PHE A 124 -1.060 -10.459 9.744 1.00 0.00 C ATOM 1900 C PHE A 124 -2.198 -11.403 10.107 1.00 0.00 C ATOM 1901 O PHE A 124 -2.274 -12.515 9.596 1.00 0.00 O ATOM 1902 CB PHE A 124 -0.265 -10.075 11.007 1.00 0.00 C ATOM 1903 CG PHE A 124 1.008 -9.257 10.868 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.750 -9.209 9.670 1.00 0.00 C ATOM 1905 CD2 PHE A 124 1.487 -8.568 11.999 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.939 -8.463 9.599 1.00 0.00 C ATOM 1907 CE2 PHE A 124 2.669 -7.815 11.927 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.400 -7.765 10.728 1.00 0.00 C ATOM 0 H PHE A 124 -1.382 -8.412 9.512 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.354 -10.940 9.067 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.939 -9.523 11.662 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -0.005 -10.999 11.523 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.403 -9.749 8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 124 0.940 -8.620 12.929 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.499 -8.426 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.017 -7.273 12.794 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.314 -7.192 10.674 1.00 0.00 H new ATOM 1918 N GLU A 125 -3.112 -10.955 10.961 1.00 0.00 N ATOM 1919 CA GLU A 125 -4.114 -11.838 11.531 1.00 0.00 C ATOM 1920 C GLU A 125 -5.181 -12.245 10.508 1.00 0.00 C ATOM 1921 O GLU A 125 -5.716 -13.356 10.555 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.787 -11.091 12.685 1.00 0.00 C ATOM 1923 CG GLU A 125 -3.902 -10.866 13.922 1.00 0.00 C ATOM 1924 CD GLU A 125 -3.965 -12.036 14.899 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -5.060 -12.287 15.450 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -2.927 -12.670 15.200 1.00 0.00 O ATOM 0 H GLU A 125 -3.177 -9.986 11.271 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.624 -12.752 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.127 -10.122 12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.674 -11.647 12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.870 -10.715 13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.216 -9.954 14.430 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.542 -11.336 9.605 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.641 -11.489 8.664 1.00 0.00 C ATOM 1935 C LYS A 126 -6.172 -12.317 7.478 1.00 0.00 C ATOM 1936 O LYS A 126 -6.771 -13.357 7.200 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.148 -10.092 8.256 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.542 -10.042 7.624 1.00 0.00 C ATOM 1939 CD LYS A 126 -8.787 -10.933 6.396 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.785 -10.287 5.437 1.00 0.00 C ATOM 1941 NZ LYS A 126 -11.158 -10.232 5.989 1.00 0.00 N ATOM 0 H LYS A 126 -5.059 -10.443 9.508 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.478 -12.021 9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.149 -9.455 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.436 -9.660 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.270 -10.313 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -8.747 -9.010 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -7.844 -11.111 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.163 -11.904 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.453 -9.276 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -9.797 -10.846 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.793 -9.785 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.490 -11.197 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.157 -9.676 6.868 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.168 -11.828 6.741 1.00 0.00 N ATOM 1956 CA LEU A 127 -4.707 -12.485 5.524 1.00 0.00 C ATOM 1957 C LEU A 127 -3.794 -13.662 5.866 1.00 0.00 C ATOM 1958 O LEU A 127 -3.612 -14.536 5.021 1.00 0.00 O ATOM 1959 CB LEU A 127 -3.928 -11.549 4.577 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.398 -10.100 4.341 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -3.779 -9.550 3.052 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -5.916 -9.904 4.318 1.00 0.00 C ATOM 0 H LEU A 127 -4.660 -10.974 6.973 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.611 -12.815 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.904 -11.498 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.891 -12.037 3.603 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.049 -9.541 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.117 -8.526 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.692 -9.565 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.087 -10.168 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.144 -8.852 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.348 -10.505 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.338 -10.215 5.274 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.207 -13.686 7.066 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.155 -14.624 7.426 1.00 0.00 C ATOM 1976 C GLY A 128 -0.781 -14.049 7.099 1.00 0.00 C ATOM 1977 O GLY A 128 0.147 -14.836 6.893 1.00 0.00 O ATOM 0 H GLY A 128 -3.456 -13.045 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.214 -14.853 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.299 -15.562 6.890 1.00 0.00 H new ATOM 1981 N MET A 129 -0.642 -12.717 6.978 1.00 0.00 N ATOM 1982 CA MET A 129 0.653 -12.134 6.623 1.00 0.00 C ATOM 1983 C MET A 129 1.656 -12.369 7.748 1.00 0.00 C ATOM 1984 O MET A 129 2.864 -12.204 7.476 1.00 0.00 O ATOM 1985 CB MET A 129 0.572 -10.642 6.245 1.00 0.00 C ATOM 1986 CG MET A 129 -0.069 -10.313 4.891 1.00 0.00 C ATOM 1987 SD MET A 129 0.598 -11.174 3.439 1.00 0.00 S ATOM 1988 CE MET A 129 -0.638 -12.483 3.225 1.00 0.00 C ATOM 1989 OXT MET A 129 1.276 -12.758 8.876 1.00 0.00 O ATOM 0 H MET A 129 -1.394 -12.042 7.118 1.00 0.00 H new ATOM 0 HA MET A 129 0.996 -12.644 5.722 1.00 0.00 H new ATOM 0 HB2 MET A 129 0.012 -10.123 7.023 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.582 -10.233 6.253 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.134 -10.534 4.957 1.00 0.00 H new ATOM 0 HG3 MET A 129 0.025 -9.240 4.723 1.00 0.00 H new ATOM 0 HE1 MET A 129 -0.323 -13.153 2.425 1.00 0.00 H new ATOM 0 HE2 MET A 129 -0.736 -13.046 4.153 1.00 0.00 H new ATOM 0 HE3 MET A 129 -1.599 -12.038 2.968 1.00 0.00 H new TER 1999 MET A 129