USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -1.5 X(o=-1.2,f=-0.71) USER MOD Set 1.2: A 89 THR OG1 : rot -52:sc= 0.311 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.408 F(o=-6,f=-5.2) USER MOD Set 2.2: A 74 ASN : amide:sc= -4.76! C(o=-5.2!,f=-8.8!) USER MOD Set 2.3: A 77 ASN : amide:sc=-0.00492 K(o=-5.2,f=-9.4) USER MOD Set 3.1: A 51 THR OG1 : rot -19:sc= 0.486 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 46 ASN : amide:sc= 0.0704 K(o=0.68,f=-0.63) USER MOD Set 4.2: A 50 SER OG : rot 33:sc= 0.61 USER MOD Set 5.1: A 1 LYS N :NH3+ -176:sc= 0.629 (180deg=0) USER MOD Set 5.2: A 40 THR OG1 : rot -58:sc= 0.287 USER MOD Set 5.3: A 41 GLN : amide:sc= 0.814 K(o=1.7,f=-4.2!) USER MOD Set 6.1: A 24 SER OG : rot -36:sc= 1.24 USER MOD Set 6.2: A 27 ASN :FLIP amide:sc= -1.48! C(o=-4.9!,f=-0.24!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -120:sc= -10.3! (180deg=-12.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.00362 X(o=0.0036,f=-0.16) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= -0.259 (180deg=-0.334) USER MOD Single : A 36 SER OG : rot -93:sc= -2.36! USER MOD Single : A 37 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.0065) USER MOD Single : A 39 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.9) USER MOD Single : A 43 THR OG1 : rot 11:sc= 0.806! USER MOD Single : A 44 ASN : amide:sc= -0.032 X(o=-0.032,f=-0.17) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -1.26 F(o=-2.1,f=-1.3) USER MOD Single : A 59 ASN :FLIP amide:sc= -6.35! C(o=-8.5!,f=-6.3!) USER MOD Single : A 60 SER OG : rot -43:sc= -0.15 USER MOD Single : A 69 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 72 SER OG : rot 123:sc= 0.103 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 130:sc= -1.15 USER MOD Single : A 91 SER OG : rot 180:sc= -1.23 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.15 F(o=-1.8,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= 0.208 (180deg=0.0469) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -33:sc= -0.494 USER MOD Single : A 103 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.4!) USER MOD Single : A 105 MET CE :methyl -149:sc= -1.86! (180deg=-4.8!) USER MOD Single : A 106 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.41) USER MOD Single : A 113 ASN : amide:sc= 0.00069 K(o=0.00069,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -58:sc= 0.952 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.121 -10.242 2.030 1.00 0.00 N ATOM 2 CA LYS A 1 -5.853 -10.848 1.545 1.00 0.00 C ATOM 3 C LYS A 1 -4.791 -9.782 1.302 1.00 0.00 C ATOM 4 O LYS A 1 -4.914 -8.966 0.390 1.00 0.00 O ATOM 5 CB LYS A 1 -6.142 -11.610 0.250 1.00 0.00 C ATOM 6 CG LYS A 1 -5.068 -12.624 -0.110 1.00 0.00 C ATOM 7 CD LYS A 1 -5.673 -13.897 -0.680 1.00 0.00 C ATOM 8 CE LYS A 1 -5.128 -14.201 -2.066 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.527 -15.556 -2.535 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.803 -10.995 2.252 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.933 -9.682 2.886 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.515 -9.624 1.292 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.467 -11.528 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.098 -12.124 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.245 -10.896 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.383 -12.188 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.481 -12.864 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.460 -14.732 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.757 -13.796 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.490 -13.452 -2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.041 -14.127 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.135 -15.724 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.160 -16.273 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.564 -15.619 -2.573 1.00 0.00 H new ATOM 25 N VAL A 2 -3.749 -9.795 2.128 1.00 0.00 N ATOM 26 CA VAL A 2 -2.661 -8.830 2.012 1.00 0.00 C ATOM 27 C VAL A 2 -1.448 -9.455 1.322 1.00 0.00 C ATOM 28 O VAL A 2 -1.172 -10.643 1.493 1.00 0.00 O ATOM 29 CB VAL A 2 -2.244 -8.302 3.404 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.953 -7.506 3.328 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.350 -7.452 4.006 1.00 0.00 C ATOM 0 H VAL A 2 -3.635 -10.466 2.888 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.023 -7.998 1.408 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.073 -9.165 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.687 -7.149 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.155 -8.143 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.089 -6.655 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.038 -7.089 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.553 -6.603 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.253 -8.052 4.112 1.00 0.00 H new ATOM 41 N PHE A 3 -0.709 -8.646 0.561 1.00 0.00 N ATOM 42 CA PHE A 3 0.486 -9.115 -0.126 1.00 0.00 C ATOM 43 C PHE A 3 1.659 -9.188 0.839 1.00 0.00 C ATOM 44 O PHE A 3 1.608 -8.639 1.938 1.00 0.00 O ATOM 45 CB PHE A 3 0.866 -8.157 -1.259 1.00 0.00 C ATOM 46 CG PHE A 3 -0.063 -8.166 -2.435 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.497 -9.356 -2.992 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.487 -6.974 -2.994 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.339 -9.356 -4.086 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.330 -6.966 -4.084 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.757 -8.158 -4.633 1.00 0.00 C ATOM 0 H PHE A 3 -0.922 -7.660 0.407 1.00 0.00 H new ATOM 0 HA PHE A 3 0.268 -10.104 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.911 -7.144 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.869 -8.408 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.174 -10.295 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.153 -6.038 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.670 -10.291 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.656 -6.028 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.416 -8.154 -5.488 1.00 0.00 H new ATOM 61 N GLY A 4 2.723 -9.847 0.407 1.00 0.00 N ATOM 62 CA GLY A 4 3.911 -9.955 1.227 1.00 0.00 C ATOM 63 C GLY A 4 4.905 -8.858 0.904 1.00 0.00 C ATOM 64 O GLY A 4 4.519 -7.790 0.428 1.00 0.00 O ATOM 0 H GLY A 4 2.785 -10.310 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.635 -9.900 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.376 -10.928 1.070 1.00 0.00 H new ATOM 68 N ARG A 5 6.184 -9.112 1.153 1.00 0.00 N ATOM 69 CA ARG A 5 7.219 -8.124 0.872 1.00 0.00 C ATOM 70 C ARG A 5 7.771 -8.291 -0.534 1.00 0.00 C ATOM 71 O ARG A 5 7.705 -7.368 -1.345 1.00 0.00 O ATOM 72 CB ARG A 5 8.349 -8.225 1.898 1.00 0.00 C ATOM 73 CG ARG A 5 7.886 -8.038 3.334 1.00 0.00 C ATOM 74 CD ARG A 5 9.059 -8.035 4.301 1.00 0.00 C ATOM 75 NE ARG A 5 9.012 -9.167 5.223 1.00 0.00 N ATOM 76 CZ ARG A 5 10.073 -9.901 5.545 1.00 0.00 C ATOM 77 NH1 ARG A 5 11.259 -9.624 5.021 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.948 -10.914 6.392 1.00 0.00 N ATOM 0 H ARG A 5 6.528 -9.988 1.546 1.00 0.00 H new ATOM 0 HA ARG A 5 6.765 -7.136 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.828 -9.199 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.105 -7.474 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.338 -7.100 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.194 -8.837 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.992 -8.064 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.058 -7.105 4.869 1.00 0.00 H new ATOM 0 HE ARG A 5 8.115 -9.408 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.359 -8.846 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.071 -10.189 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.037 -11.131 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.763 -11.476 6.638 1.00 0.00 H new ATOM 92 N CYS A 6 8.316 -9.465 -0.823 1.00 0.00 N ATOM 93 CA CYS A 6 8.873 -9.722 -2.139 1.00 0.00 C ATOM 94 C CYS A 6 7.786 -10.092 -3.133 1.00 0.00 C ATOM 95 O CYS A 6 7.847 -9.695 -4.289 1.00 0.00 O ATOM 96 CB CYS A 6 9.918 -10.824 -2.085 1.00 0.00 C ATOM 97 SG CYS A 6 11.030 -10.728 -0.645 1.00 0.00 S ATOM 0 H CYS A 6 8.383 -10.246 -0.170 1.00 0.00 H new ATOM 0 HA CYS A 6 9.352 -8.801 -2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.412 -11.789 -2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.516 -10.787 -2.995 1.00 0.00 H new ATOM 102 N GLU A 7 6.789 -10.847 -2.682 1.00 0.00 N ATOM 103 CA GLU A 7 5.695 -11.241 -3.561 1.00 0.00 C ATOM 104 C GLU A 7 5.248 -10.039 -4.381 1.00 0.00 C ATOM 105 O GLU A 7 5.206 -10.084 -5.615 1.00 0.00 O ATOM 106 CB GLU A 7 4.522 -11.792 -2.747 1.00 0.00 C ATOM 107 CG GLU A 7 4.256 -13.269 -2.986 1.00 0.00 C ATOM 108 CD GLU A 7 2.826 -13.543 -3.408 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.398 -12.996 -4.446 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.134 -14.305 -2.700 1.00 0.00 O ATOM 0 H GLU A 7 6.716 -11.194 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 7 6.043 -12.027 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.720 -11.634 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.623 -11.225 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.935 -13.637 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.475 -13.826 -2.075 1.00 0.00 H new ATOM 117 N LEU A 8 4.952 -8.950 -3.684 1.00 0.00 N ATOM 118 CA LEU A 8 4.542 -7.726 -4.340 1.00 0.00 C ATOM 119 C LEU A 8 5.711 -7.100 -5.091 1.00 0.00 C ATOM 120 O LEU A 8 5.515 -6.540 -6.166 1.00 0.00 O ATOM 121 CB LEU A 8 3.979 -6.716 -3.339 1.00 0.00 C ATOM 122 CG LEU A 8 3.751 -5.314 -3.914 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.285 -5.104 -4.261 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.229 -4.248 -2.941 1.00 0.00 C ATOM 0 H LEU A 8 4.990 -8.894 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 8 3.756 -7.986 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.033 -7.095 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.662 -6.642 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 8 4.334 -5.226 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.147 -4.102 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.977 -5.842 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.679 -5.218 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.057 -3.261 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.679 -4.337 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.294 -4.381 -2.750 1.00 0.00 H new ATOM 136 N ALA A 9 6.930 -7.200 -4.539 1.00 0.00 N ATOM 137 CA ALA A 9 8.097 -6.624 -5.202 1.00 0.00 C ATOM 138 C ALA A 9 8.322 -7.265 -6.563 1.00 0.00 C ATOM 139 O ALA A 9 8.387 -6.571 -7.576 1.00 0.00 O ATOM 140 CB ALA A 9 9.336 -6.755 -4.339 1.00 0.00 C ATOM 0 H ALA A 9 7.126 -7.666 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 9 7.901 -5.562 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.189 -6.318 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.179 -6.233 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.533 -7.809 -4.142 1.00 0.00 H new ATOM 146 N ALA A 10 8.424 -8.590 -6.587 1.00 0.00 N ATOM 147 CA ALA A 10 8.615 -9.306 -7.834 1.00 0.00 C ATOM 148 C ALA A 10 7.570 -8.848 -8.834 1.00 0.00 C ATOM 149 O ALA A 10 7.851 -8.696 -10.023 1.00 0.00 O ATOM 150 CB ALA A 10 8.526 -10.808 -7.610 1.00 0.00 C ATOM 0 H ALA A 10 8.377 -9.184 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 10 9.608 -9.089 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.672 -11.326 -8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.297 -11.117 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.545 -11.058 -7.207 1.00 0.00 H new ATOM 156 N ALA A 11 6.359 -8.608 -8.332 1.00 0.00 N ATOM 157 CA ALA A 11 5.273 -8.141 -9.179 1.00 0.00 C ATOM 158 C ALA A 11 5.578 -6.758 -9.718 1.00 0.00 C ATOM 159 O ALA A 11 5.267 -6.437 -10.863 1.00 0.00 O ATOM 160 CB ALA A 11 3.954 -8.153 -8.422 1.00 0.00 C ATOM 0 H ALA A 11 6.111 -8.729 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 11 5.179 -8.822 -10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.156 -7.800 -9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.732 -9.169 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.027 -7.499 -7.553 1.00 0.00 H new ATOM 166 N MET A 12 6.195 -5.959 -8.877 1.00 0.00 N ATOM 167 CA MET A 12 6.574 -4.593 -9.242 1.00 0.00 C ATOM 168 C MET A 12 7.482 -4.607 -10.462 1.00 0.00 C ATOM 169 O MET A 12 7.224 -3.923 -11.452 1.00 0.00 O ATOM 170 CB MET A 12 7.305 -3.894 -8.093 1.00 0.00 C ATOM 171 CG MET A 12 6.668 -4.103 -6.734 1.00 0.00 C ATOM 172 SD MET A 12 4.907 -3.724 -6.727 1.00 0.00 S ATOM 173 CE MET A 12 4.951 -1.969 -7.061 1.00 0.00 C ATOM 0 H MET A 12 6.451 -6.225 -7.926 1.00 0.00 H new ATOM 0 HA MET A 12 5.657 -4.047 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.333 -4.254 -8.059 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.348 -2.825 -8.301 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.814 -5.138 -6.424 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.174 -3.476 -6.000 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.486 -1.430 -6.236 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.986 -1.645 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.408 -1.760 -7.983 1.00 0.00 H new ATOM 183 N LYS A 13 8.548 -5.398 -10.378 1.00 0.00 N ATOM 184 CA LYS A 13 9.503 -5.513 -11.471 1.00 0.00 C ATOM 185 C LYS A 13 8.786 -5.888 -12.757 1.00 0.00 C ATOM 186 O LYS A 13 9.026 -5.300 -13.811 1.00 0.00 O ATOM 187 CB LYS A 13 10.570 -6.559 -11.141 1.00 0.00 C ATOM 188 CG LYS A 13 11.870 -6.363 -11.903 1.00 0.00 C ATOM 189 CD LYS A 13 12.512 -7.694 -12.261 1.00 0.00 C ATOM 190 CE LYS A 13 13.401 -7.571 -13.488 1.00 0.00 C ATOM 191 NZ LYS A 13 14.119 -8.842 -13.783 1.00 0.00 N ATOM 0 H LYS A 13 8.771 -5.969 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 13 9.991 -4.548 -11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.778 -6.529 -10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.175 -7.551 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.678 -5.794 -12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.562 -5.775 -11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.102 -8.053 -11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.735 -8.436 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.795 -7.288 -14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.126 -6.772 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.714 -8.717 -14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.717 -9.099 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.427 -9.599 -13.957 1.00 0.00 H new ATOM 205 N ARG A 14 7.896 -6.867 -12.657 1.00 0.00 N ATOM 206 CA ARG A 14 7.132 -7.321 -13.808 1.00 0.00 C ATOM 207 C ARG A 14 6.245 -6.199 -14.325 1.00 0.00 C ATOM 208 O ARG A 14 6.084 -6.027 -15.534 1.00 0.00 O ATOM 209 CB ARG A 14 6.279 -8.535 -13.437 1.00 0.00 C ATOM 210 CG ARG A 14 6.805 -9.844 -14.002 1.00 0.00 C ATOM 211 CD ARG A 14 5.715 -10.903 -14.063 1.00 0.00 C ATOM 212 NE ARG A 14 5.691 -11.733 -12.863 1.00 0.00 N ATOM 213 CZ ARG A 14 4.868 -11.528 -11.839 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.005 -10.522 -11.870 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.909 -12.329 -10.783 1.00 0.00 N ATOM 0 H ARG A 14 7.687 -7.361 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 14 7.829 -7.611 -14.594 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.226 -8.613 -12.351 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.262 -8.377 -13.795 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.206 -9.675 -15.001 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.628 -10.203 -13.385 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.746 -10.419 -14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.872 -11.535 -14.937 1.00 0.00 H new ATOM 0 HE ARG A 14 6.343 -12.515 -12.807 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.972 -9.904 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.375 -10.367 -11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.572 -13.103 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.277 -12.171 -9.998 1.00 0.00 H new ATOM 229 N HIS A 15 5.646 -5.453 -13.400 1.00 0.00 N ATOM 230 CA HIS A 15 4.745 -4.367 -13.755 1.00 0.00 C ATOM 231 C HIS A 15 5.508 -3.137 -14.230 1.00 0.00 C ATOM 232 O HIS A 15 4.899 -2.160 -14.669 1.00 0.00 O ATOM 233 CB HIS A 15 3.881 -4.000 -12.549 1.00 0.00 C ATOM 234 CG HIS A 15 2.642 -4.829 -12.417 1.00 0.00 C ATOM 235 ND1 HIS A 15 1.969 -4.987 -11.225 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.950 -5.547 -13.335 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.919 -5.765 -11.414 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.885 -6.118 -12.685 1.00 0.00 N ATOM 0 H HIS A 15 5.771 -5.584 -12.396 1.00 0.00 H new ATOM 0 HA HIS A 15 4.114 -4.710 -14.575 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.476 -4.106 -11.642 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.598 -2.950 -12.623 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.240 -4.568 -10.335 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.192 -5.650 -14.383 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.209 -6.062 -10.657 1.00 0.00 H new ATOM 247 N GLY A 16 6.836 -3.193 -14.189 1.00 0.00 N ATOM 248 CA GLY A 16 7.633 -2.085 -14.671 1.00 0.00 C ATOM 249 C GLY A 16 7.816 -0.944 -13.685 1.00 0.00 C ATOM 250 O GLY A 16 8.133 0.169 -14.105 1.00 0.00 O ATOM 0 H GLY A 16 7.371 -3.984 -13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.616 -2.461 -14.954 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.170 -1.692 -15.576 1.00 0.00 H new ATOM 254 N LEU A 17 7.635 -1.181 -12.384 1.00 0.00 N ATOM 255 CA LEU A 17 7.817 -0.099 -11.424 1.00 0.00 C ATOM 256 C LEU A 17 9.265 -0.044 -10.984 1.00 0.00 C ATOM 257 O LEU A 17 9.652 0.766 -10.142 1.00 0.00 O ATOM 258 CB LEU A 17 6.898 -0.255 -10.210 1.00 0.00 C ATOM 259 CG LEU A 17 5.490 -0.799 -10.485 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.486 -0.147 -9.551 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.062 -0.573 -11.931 1.00 0.00 C ATOM 0 H LEU A 17 7.372 -2.082 -11.984 1.00 0.00 H new ATOM 0 HA LEU A 17 7.550 0.836 -11.916 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.386 -0.917 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.800 0.718 -9.728 1.00 0.00 H new ATOM 0 HG LEU A 17 5.518 -1.874 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.490 -0.541 -9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.757 -0.363 -8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.489 0.931 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.059 -0.974 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.062 0.495 -12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.758 -1.079 -12.600 1.00 0.00 H new ATOM 273 N ASP A 18 10.054 -0.920 -11.578 1.00 0.00 N ATOM 274 CA ASP A 18 11.479 -1.004 -11.284 1.00 0.00 C ATOM 275 C ASP A 18 12.220 0.194 -11.872 1.00 0.00 C ATOM 276 O ASP A 18 12.778 0.119 -12.967 1.00 0.00 O ATOM 277 CB ASP A 18 12.057 -2.307 -11.840 1.00 0.00 C ATOM 278 CG ASP A 18 13.564 -2.381 -11.694 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.045 -2.468 -10.545 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.263 -2.352 -12.729 1.00 0.00 O ATOM 0 H ASP A 18 9.731 -1.591 -12.275 1.00 0.00 H new ATOM 0 HA ASP A 18 11.609 -0.994 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.603 -3.152 -11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.792 -2.398 -12.893 1.00 0.00 H new ATOM 285 N ASN A 19 12.213 1.296 -11.130 1.00 0.00 N ATOM 286 CA ASN A 19 12.874 2.528 -11.550 1.00 0.00 C ATOM 287 C ASN A 19 12.199 3.122 -12.768 1.00 0.00 C ATOM 288 O ASN A 19 12.854 3.671 -13.656 1.00 0.00 O ATOM 289 CB ASN A 19 14.360 2.282 -11.829 1.00 0.00 C ATOM 290 CG ASN A 19 15.247 3.350 -11.220 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.838 3.151 -10.159 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.344 4.492 -11.890 1.00 0.00 N ATOM 0 H ASN A 19 11.751 1.361 -10.223 1.00 0.00 H new ATOM 0 HA ASN A 19 12.790 3.244 -10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.645 1.307 -11.432 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.524 2.248 -12.906 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.926 5.247 -11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.836 4.614 -12.766 1.00 0.00 H new ATOM 299 N TYR A 20 10.879 3.036 -12.787 1.00 0.00 N ATOM 300 CA TYR A 20 10.111 3.596 -13.881 1.00 0.00 C ATOM 301 C TYR A 20 10.252 5.102 -13.823 1.00 0.00 C ATOM 302 O TYR A 20 10.794 5.614 -12.844 1.00 0.00 O ATOM 303 CB TYR A 20 8.639 3.190 -13.767 1.00 0.00 C ATOM 304 CG TYR A 20 7.817 3.522 -14.992 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.997 2.828 -16.183 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.861 4.529 -14.958 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.246 3.127 -17.304 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.106 4.835 -16.075 1.00 0.00 C ATOM 309 CZ TYR A 20 6.303 4.132 -17.245 1.00 0.00 C ATOM 310 OH TYR A 20 5.554 4.433 -18.359 1.00 0.00 O ATOM 0 H TYR A 20 10.322 2.586 -12.061 1.00 0.00 H new ATOM 0 HA TYR A 20 10.482 3.219 -14.834 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.581 2.117 -13.582 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.201 3.687 -12.901 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.736 2.042 -16.233 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.705 5.082 -14.044 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.397 2.577 -18.221 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.366 5.620 -16.032 1.00 0.00 H new ATOM 0 HH TYR A 20 4.935 5.164 -18.150 1.00 0.00 H new ATOM 320 N ARG A 21 9.805 5.803 -14.866 1.00 0.00 N ATOM 321 CA ARG A 21 9.909 7.259 -14.915 1.00 0.00 C ATOM 322 C ARG A 21 9.961 7.837 -13.505 1.00 0.00 C ATOM 323 O ARG A 21 10.693 8.788 -13.232 1.00 0.00 O ATOM 324 CB ARG A 21 8.723 7.851 -15.680 1.00 0.00 C ATOM 325 CG ARG A 21 8.954 9.278 -16.149 1.00 0.00 C ATOM 326 CD ARG A 21 9.628 9.315 -17.511 1.00 0.00 C ATOM 327 NE ARG A 21 9.935 10.679 -17.933 1.00 0.00 N ATOM 328 CZ ARG A 21 10.074 11.045 -19.204 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.935 10.150 -20.174 1.00 0.00 N ATOM 330 NH2 ARG A 21 10.354 12.305 -19.507 1.00 0.00 N ATOM 0 H ARG A 21 9.368 5.385 -15.687 1.00 0.00 H new ATOM 0 HA ARG A 21 10.830 7.521 -15.435 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.509 7.223 -16.545 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.840 7.826 -15.041 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.001 9.804 -16.199 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.571 9.806 -15.422 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.547 8.731 -17.476 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.979 8.844 -18.250 1.00 0.00 H new ATOM 0 HE ARG A 21 10.049 11.391 -17.212 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.721 9.179 -19.945 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.042 10.433 -21.148 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.463 12.996 -18.765 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.460 12.583 -20.482 1.00 0.00 H new ATOM 344 N GLY A 22 9.177 7.235 -12.613 1.00 0.00 N ATOM 345 CA GLY A 22 9.137 7.668 -11.235 1.00 0.00 C ATOM 346 C GLY A 22 10.295 7.124 -10.420 1.00 0.00 C ATOM 347 O GLY A 22 11.384 7.697 -10.427 1.00 0.00 O ATOM 0 H GLY A 22 8.565 6.448 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.152 8.757 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.198 7.348 -10.784 1.00 0.00 H new ATOM 351 N TYR A 23 10.053 6.035 -9.689 1.00 0.00 N ATOM 352 CA TYR A 23 11.097 5.460 -8.843 1.00 0.00 C ATOM 353 C TYR A 23 11.232 3.947 -8.976 1.00 0.00 C ATOM 354 O TYR A 23 10.478 3.294 -9.697 1.00 0.00 O ATOM 355 CB TYR A 23 10.830 5.818 -7.383 1.00 0.00 C ATOM 356 CG TYR A 23 11.028 7.285 -7.071 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.064 8.222 -7.420 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.176 7.731 -6.431 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.238 9.563 -7.139 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.358 9.072 -6.146 1.00 0.00 C ATOM 361 CZ TYR A 23 11.386 9.983 -6.502 1.00 0.00 C ATOM 362 OH TYR A 23 11.564 11.319 -6.220 1.00 0.00 O ATOM 0 H TYR A 23 9.161 5.542 -9.665 1.00 0.00 H new ATOM 0 HA TYR A 23 12.039 5.889 -9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.808 5.537 -7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.490 5.228 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.163 7.897 -7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.939 7.020 -6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.479 10.279 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.257 9.404 -5.647 1.00 0.00 H new ATOM 0 HH TYR A 23 12.424 11.446 -5.768 1.00 0.00 H new ATOM 372 N SER A 24 12.222 3.410 -8.256 1.00 0.00 N ATOM 373 CA SER A 24 12.510 1.985 -8.253 1.00 0.00 C ATOM 374 C SER A 24 11.396 1.209 -7.574 1.00 0.00 C ATOM 375 O SER A 24 10.675 1.747 -6.735 1.00 0.00 O ATOM 376 CB SER A 24 13.840 1.713 -7.551 1.00 0.00 C ATOM 377 OG SER A 24 13.734 1.923 -6.154 1.00 0.00 O ATOM 0 H SER A 24 12.843 3.958 -7.660 1.00 0.00 H new ATOM 0 HA SER A 24 12.581 1.652 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.153 0.687 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.611 2.365 -7.962 1.00 0.00 H new ATOM 0 HG SER A 24 13.131 2.676 -5.981 1.00 0.00 H new ATOM 383 N LEU A 25 11.266 -0.057 -7.950 1.00 0.00 N ATOM 384 CA LEU A 25 10.239 -0.923 -7.392 1.00 0.00 C ATOM 385 C LEU A 25 10.172 -0.796 -5.866 1.00 0.00 C ATOM 386 O LEU A 25 9.089 -0.673 -5.296 1.00 0.00 O ATOM 387 CB LEU A 25 10.481 -2.372 -7.814 1.00 0.00 C ATOM 388 CG LEU A 25 11.377 -3.183 -6.892 1.00 0.00 C ATOM 389 CD1 LEU A 25 10.551 -3.825 -5.788 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.130 -4.231 -7.691 1.00 0.00 C ATOM 0 H LEU A 25 11.863 -0.507 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 25 9.274 -0.606 -7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.517 -2.875 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.920 -2.373 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 25 12.106 -2.520 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.204 -4.403 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.052 -3.048 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.804 -4.484 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.770 -4.808 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.419 -4.898 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.743 -3.741 -8.447 1.00 0.00 H new ATOM 402 N GLY A 26 11.332 -0.851 -5.207 1.00 0.00 N ATOM 403 CA GLY A 26 11.377 -0.761 -3.755 1.00 0.00 C ATOM 404 C GLY A 26 10.578 0.400 -3.187 1.00 0.00 C ATOM 405 O GLY A 26 9.902 0.246 -2.170 1.00 0.00 O ATOM 0 H GLY A 26 12.242 -0.957 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.000 -1.691 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.416 -0.664 -3.438 1.00 0.00 H new ATOM 409 N ASN A 27 10.646 1.559 -3.837 1.00 0.00 N ATOM 410 CA ASN A 27 9.911 2.731 -3.369 1.00 0.00 C ATOM 411 C ASN A 27 8.416 2.438 -3.345 1.00 0.00 C ATOM 412 O ASN A 27 7.664 3.018 -2.562 1.00 0.00 O ATOM 413 CB ASN A 27 10.197 3.939 -4.262 1.00 0.00 C ATOM 414 CG ASN A 27 11.640 4.397 -4.168 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.419 4.113 -5.204 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 12.048 5.000 -3.176 1.00 0.00 N flip ATOM 0 H ASN A 27 11.197 1.712 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 27 10.242 2.964 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.965 3.686 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.539 4.760 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.413 5.197 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.021 5.303 -3.128 1.00 0.00 H new ATOM 423 N TRP A 28 8.004 1.517 -4.206 1.00 0.00 N ATOM 424 CA TRP A 28 6.611 1.105 -4.302 1.00 0.00 C ATOM 425 C TRP A 28 6.239 0.203 -3.144 1.00 0.00 C ATOM 426 O TRP A 28 5.129 0.278 -2.617 1.00 0.00 O ATOM 427 CB TRP A 28 6.384 0.387 -5.617 1.00 0.00 C ATOM 428 CG TRP A 28 6.711 1.250 -6.780 1.00 0.00 C ATOM 429 CD1 TRP A 28 7.916 1.359 -7.396 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.827 2.145 -7.447 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.840 2.271 -8.418 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.560 2.766 -8.474 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.482 2.473 -7.275 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.989 3.703 -9.330 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.909 3.401 -8.119 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.661 4.009 -9.140 1.00 0.00 C ATOM 0 H TRP A 28 8.625 1.036 -4.856 1.00 0.00 H new ATOM 0 HA TRP A 28 5.978 1.992 -4.260 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.996 -0.514 -5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.344 0.068 -5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.804 0.809 -7.122 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.608 2.538 -9.035 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.899 2.008 -6.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.566 4.172 -10.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.869 3.664 -7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.186 4.731 -9.788 1.00 0.00 H new ATOM 447 N VAL A 29 7.176 -0.648 -2.744 1.00 0.00 N ATOM 448 CA VAL A 29 6.952 -1.562 -1.641 1.00 0.00 C ATOM 449 C VAL A 29 6.834 -0.804 -0.331 1.00 0.00 C ATOM 450 O VAL A 29 5.903 -1.016 0.439 1.00 0.00 O ATOM 451 CB VAL A 29 8.099 -2.586 -1.540 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.970 -3.436 -0.284 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.142 -3.457 -2.788 1.00 0.00 C ATOM 0 H VAL A 29 8.099 -0.721 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 29 6.018 -2.091 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 29 9.039 -2.039 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.793 -4.149 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.000 -2.793 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.023 -3.976 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.957 -4.175 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.197 -3.991 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.302 -2.829 -3.664 1.00 0.00 H new ATOM 463 N CYS A 30 7.791 0.076 -0.085 1.00 0.00 N ATOM 464 CA CYS A 30 7.807 0.870 1.131 1.00 0.00 C ATOM 465 C CYS A 30 6.555 1.741 1.239 1.00 0.00 C ATOM 466 O CYS A 30 5.914 1.795 2.291 1.00 0.00 O ATOM 467 CB CYS A 30 9.059 1.743 1.155 1.00 0.00 C ATOM 468 SG CYS A 30 9.357 2.582 2.740 1.00 0.00 S ATOM 0 H CYS A 30 8.571 0.258 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 30 7.818 0.193 1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.924 1.124 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.979 2.494 0.369 1.00 0.00 H new ATOM 473 N ALA A 31 6.212 2.424 0.146 1.00 0.00 N ATOM 474 CA ALA A 31 5.043 3.294 0.126 1.00 0.00 C ATOM 475 C ALA A 31 3.758 2.506 0.355 1.00 0.00 C ATOM 476 O ALA A 31 2.904 2.912 1.142 1.00 0.00 O ATOM 477 CB ALA A 31 4.971 4.047 -1.194 1.00 0.00 C ATOM 0 H ALA A 31 6.728 2.390 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 31 5.145 4.011 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.093 4.694 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.869 4.653 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.899 3.335 -2.016 1.00 0.00 H new ATOM 483 N ALA A 32 3.628 1.381 -0.339 1.00 0.00 N ATOM 484 CA ALA A 32 2.445 0.539 -0.216 1.00 0.00 C ATOM 485 C ALA A 32 2.372 -0.121 1.157 1.00 0.00 C ATOM 486 O ALA A 32 1.305 -0.181 1.768 1.00 0.00 O ATOM 487 CB ALA A 32 2.434 -0.516 -1.310 1.00 0.00 C ATOM 0 H ALA A 32 4.328 1.031 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 32 1.567 1.176 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.545 -1.138 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.425 -0.029 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.325 -1.139 -1.224 1.00 0.00 H new ATOM 493 N LYS A 33 3.508 -0.627 1.629 1.00 0.00 N ATOM 494 CA LYS A 33 3.579 -1.299 2.922 1.00 0.00 C ATOM 495 C LYS A 33 2.931 -0.476 4.021 1.00 0.00 C ATOM 496 O LYS A 33 2.037 -0.949 4.716 1.00 0.00 O ATOM 497 CB LYS A 33 5.036 -1.578 3.291 1.00 0.00 C ATOM 498 CG LYS A 33 5.195 -2.487 4.500 1.00 0.00 C ATOM 499 CD LYS A 33 6.609 -3.033 4.604 1.00 0.00 C ATOM 500 CE LYS A 33 6.719 -4.094 5.687 1.00 0.00 C ATOM 501 NZ LYS A 33 7.927 -4.945 5.512 1.00 0.00 N ATOM 0 H LYS A 33 4.397 -0.583 1.131 1.00 0.00 H new ATOM 0 HA LYS A 33 3.032 -2.238 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.538 -2.033 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.539 -0.632 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.950 -1.934 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.489 -3.314 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.907 -3.458 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.300 -2.218 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.753 -3.612 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.828 -4.722 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.886 -5.746 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.961 -5.304 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.780 -4.381 5.703 1.00 0.00 H new ATOM 515 N PHE A 34 3.401 0.748 4.198 1.00 0.00 N ATOM 516 CA PHE A 34 2.864 1.602 5.244 1.00 0.00 C ATOM 517 C PHE A 34 1.514 2.190 4.874 1.00 0.00 C ATOM 518 O PHE A 34 0.760 2.622 5.747 1.00 0.00 O ATOM 519 CB PHE A 34 3.849 2.700 5.592 1.00 0.00 C ATOM 520 CG PHE A 34 4.793 2.331 6.700 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.351 2.266 8.012 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.121 2.047 6.429 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.218 1.924 9.033 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.993 1.705 7.446 1.00 0.00 C ATOM 525 CZ PHE A 34 6.540 1.643 8.749 1.00 0.00 C ATOM 0 H PHE A 34 4.143 1.168 3.639 1.00 0.00 H new ATOM 0 HA PHE A 34 2.708 0.975 6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.427 2.954 4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.297 3.595 5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.318 2.485 8.239 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.480 2.093 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.862 1.877 10.052 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.027 1.487 7.222 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.219 1.375 9.545 1.00 0.00 H new ATOM 535 N GLU A 35 1.206 2.217 3.587 1.00 0.00 N ATOM 536 CA GLU A 35 -0.056 2.764 3.122 1.00 0.00 C ATOM 537 C GLU A 35 -1.240 1.895 3.532 1.00 0.00 C ATOM 538 O GLU A 35 -2.207 2.380 4.120 1.00 0.00 O ATOM 539 CB GLU A 35 -0.025 2.889 1.598 1.00 0.00 C ATOM 540 CG GLU A 35 -0.334 4.288 1.088 1.00 0.00 C ATOM 541 CD GLU A 35 -1.432 4.974 1.879 1.00 0.00 C ATOM 542 OE1 GLU A 35 -2.435 4.306 2.207 1.00 0.00 O ATOM 543 OE2 GLU A 35 -1.288 6.180 2.172 1.00 0.00 O ATOM 0 H GLU A 35 1.814 1.866 2.847 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.184 3.743 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.960 2.591 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.744 2.190 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.571 4.894 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.629 4.231 0.040 1.00 0.00 H new ATOM 550 N SER A 36 -1.178 0.621 3.167 1.00 0.00 N ATOM 551 CA SER A 36 -2.273 -0.306 3.444 1.00 0.00 C ATOM 552 C SER A 36 -1.785 -1.610 4.065 1.00 0.00 C ATOM 553 O SER A 36 -2.545 -2.574 4.162 1.00 0.00 O ATOM 554 CB SER A 36 -3.009 -0.615 2.137 1.00 0.00 C ATOM 555 OG SER A 36 -2.089 -0.870 1.092 1.00 0.00 O ATOM 0 H SER A 36 -0.385 0.205 2.680 1.00 0.00 H new ATOM 0 HA SER A 36 -2.939 0.172 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.658 -1.479 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.649 0.225 1.867 1.00 0.00 H new ATOM 0 HG SER A 36 -1.911 -0.040 0.603 1.00 0.00 H new ATOM 561 N ASN A 37 -0.521 -1.650 4.461 1.00 0.00 N ATOM 562 CA ASN A 37 0.046 -2.862 5.041 1.00 0.00 C ATOM 563 C ASN A 37 -0.051 -3.994 4.029 1.00 0.00 C ATOM 564 O ASN A 37 -0.143 -5.162 4.393 1.00 0.00 O ATOM 565 CB ASN A 37 -0.684 -3.238 6.334 1.00 0.00 C ATOM 566 CG ASN A 37 0.185 -4.053 7.272 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.158 -5.178 7.635 1.00 0.00 O ATOM 568 ND2 ASN A 37 1.319 -3.487 7.670 1.00 0.00 N ATOM 0 H ASN A 37 0.128 -0.866 4.393 1.00 0.00 H new ATOM 0 HA ASN A 37 1.093 -2.684 5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.010 -2.330 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.582 -3.806 6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.945 -3.987 8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.564 -2.552 7.344 1.00 0.00 H new ATOM 575 N PHE A 38 -0.019 -3.610 2.754 1.00 0.00 N ATOM 576 CA PHE A 38 -0.094 -4.525 1.623 1.00 0.00 C ATOM 577 C PHE A 38 -1.483 -5.134 1.485 1.00 0.00 C ATOM 578 O PHE A 38 -1.649 -6.186 0.875 1.00 0.00 O ATOM 579 CB PHE A 38 0.986 -5.604 1.719 1.00 0.00 C ATOM 580 CG PHE A 38 2.374 -5.062 1.524 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.619 -4.086 0.570 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.430 -5.520 2.293 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.888 -3.578 0.386 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.704 -5.015 2.113 1.00 0.00 C ATOM 585 CZ PHE A 38 4.933 -4.044 1.159 1.00 0.00 C ATOM 0 H PHE A 38 0.062 -2.632 2.475 1.00 0.00 H new ATOM 0 HA PHE A 38 0.093 -3.948 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.924 -6.087 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.793 -6.372 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.805 -3.719 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.257 -6.279 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.064 -2.818 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.520 -5.380 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.928 -3.649 1.017 1.00 0.00 H new ATOM 595 N ASN A 39 -2.485 -4.451 2.023 1.00 0.00 N ATOM 596 CA ASN A 39 -3.857 -4.930 1.926 1.00 0.00 C ATOM 597 C ASN A 39 -4.423 -4.605 0.551 1.00 0.00 C ATOM 598 O ASN A 39 -4.672 -3.444 0.226 1.00 0.00 O ATOM 599 CB ASN A 39 -4.724 -4.308 3.022 1.00 0.00 C ATOM 600 CG ASN A 39 -6.130 -4.878 3.044 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.438 -5.831 2.329 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.990 -4.296 3.871 1.00 0.00 N ATOM 0 H ASN A 39 -2.375 -3.571 2.527 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.861 -6.011 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.253 -4.473 3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.775 -3.230 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.949 -4.637 3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.691 -3.508 4.446 1.00 0.00 H new ATOM 609 N THR A 40 -4.599 -5.638 -0.261 1.00 0.00 N ATOM 610 CA THR A 40 -5.108 -5.474 -1.612 1.00 0.00 C ATOM 611 C THR A 40 -6.573 -5.096 -1.561 1.00 0.00 C ATOM 612 O THR A 40 -7.092 -4.400 -2.434 1.00 0.00 O ATOM 613 CB THR A 40 -4.943 -6.772 -2.425 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.120 -7.579 -2.309 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.742 -7.565 -1.935 1.00 0.00 C ATOM 0 H THR A 40 -4.395 -6.604 -0.004 1.00 0.00 H new ATOM 0 HA THR A 40 -4.537 -4.684 -2.100 1.00 0.00 H new ATOM 0 HB THR A 40 -4.787 -6.500 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.287 -7.780 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.644 -8.478 -2.523 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.839 -6.964 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.880 -7.823 -0.885 1.00 0.00 H new ATOM 623 N GLN A 41 -7.221 -5.570 -0.514 1.00 0.00 N ATOM 624 CA GLN A 41 -8.628 -5.314 -0.288 1.00 0.00 C ATOM 625 C GLN A 41 -8.825 -4.071 0.575 1.00 0.00 C ATOM 626 O GLN A 41 -9.936 -3.777 1.016 1.00 0.00 O ATOM 627 CB GLN A 41 -9.246 -6.530 0.393 1.00 0.00 C ATOM 628 CG GLN A 41 -9.834 -7.543 -0.578 1.00 0.00 C ATOM 629 CD GLN A 41 -9.078 -8.857 -0.576 1.00 0.00 C ATOM 630 OE1 GLN A 41 -7.851 -8.882 -0.480 1.00 0.00 O ATOM 631 NE2 GLN A 41 -9.810 -9.960 -0.682 1.00 0.00 N ATOM 0 H GLN A 41 -6.783 -6.145 0.206 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.117 -5.135 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.485 -7.021 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.029 -6.195 1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.877 -7.727 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.825 -7.124 -1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.825 -9.893 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.357 -10.874 -0.686 1.00 0.00 H new ATOM 640 N ALA A 42 -7.732 -3.353 0.823 1.00 0.00 N ATOM 641 CA ALA A 42 -7.772 -2.149 1.646 1.00 0.00 C ATOM 642 C ALA A 42 -8.640 -1.056 1.031 1.00 0.00 C ATOM 643 O ALA A 42 -8.356 -0.556 -0.057 1.00 0.00 O ATOM 644 CB ALA A 42 -6.365 -1.622 1.879 1.00 0.00 C ATOM 0 H ALA A 42 -6.806 -3.586 0.464 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.221 -2.428 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.410 -0.724 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.772 -2.381 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.903 -1.383 0.921 1.00 0.00 H new ATOM 650 N THR A 43 -9.684 -0.677 1.759 1.00 0.00 N ATOM 651 CA THR A 43 -10.599 0.374 1.330 1.00 0.00 C ATOM 652 C THR A 43 -10.892 1.290 2.517 1.00 0.00 C ATOM 653 O THR A 43 -11.373 0.828 3.552 1.00 0.00 O ATOM 654 CB THR A 43 -11.923 -0.208 0.800 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.696 -0.740 1.882 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.664 -1.302 -0.227 1.00 0.00 C ATOM 0 H THR A 43 -9.920 -1.089 2.662 1.00 0.00 H new ATOM 0 HA THR A 43 -10.127 0.930 0.520 1.00 0.00 H new ATOM 0 HB THR A 43 -12.477 0.598 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.295 -0.470 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.615 -1.697 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.103 -0.889 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.089 -2.105 0.234 1.00 0.00 H new ATOM 664 N ASN A 44 -10.592 2.579 2.385 1.00 0.00 N ATOM 665 CA ASN A 44 -10.823 3.520 3.480 1.00 0.00 C ATOM 666 C ASN A 44 -11.434 4.824 2.980 1.00 0.00 C ATOM 667 O ASN A 44 -10.817 5.555 2.207 1.00 0.00 O ATOM 668 CB ASN A 44 -9.513 3.808 4.214 1.00 0.00 C ATOM 669 CG ASN A 44 -9.506 3.256 5.625 1.00 0.00 C ATOM 670 OD1 ASN A 44 -10.466 3.432 6.377 1.00 0.00 O ATOM 671 ND2 ASN A 44 -8.421 2.585 5.994 1.00 0.00 N ATOM 0 H ASN A 44 -10.193 2.993 1.543 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.531 3.058 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.684 3.376 3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.348 4.885 4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.360 2.191 6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.649 2.463 5.338 1.00 0.00 H new ATOM 678 N ARG A 45 -12.649 5.110 3.437 1.00 0.00 N ATOM 679 CA ARG A 45 -13.350 6.327 3.045 1.00 0.00 C ATOM 680 C ARG A 45 -12.795 7.541 3.784 1.00 0.00 C ATOM 681 O ARG A 45 -12.373 7.438 4.937 1.00 0.00 O ATOM 682 CB ARG A 45 -14.849 6.189 3.319 1.00 0.00 C ATOM 683 CG ARG A 45 -15.580 5.345 2.289 1.00 0.00 C ATOM 684 CD ARG A 45 -16.807 4.675 2.888 1.00 0.00 C ATOM 685 NE ARG A 45 -17.850 4.451 1.891 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.980 3.321 1.202 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.137 2.317 1.401 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.955 3.194 0.312 1.00 0.00 N ATOM 0 H ARG A 45 -13.169 4.514 4.081 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.195 6.475 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.990 5.747 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.298 7.182 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.880 5.972 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.905 4.585 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.519 3.722 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.202 5.295 3.693 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.516 5.203 1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.386 2.410 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.240 1.452 0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.606 3.963 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.054 2.327 -0.216 1.00 0.00 H new ATOM 702 N ASN A 46 -12.799 8.687 3.112 1.00 0.00 N ATOM 703 CA ASN A 46 -12.298 9.924 3.702 1.00 0.00 C ATOM 704 C ASN A 46 -13.435 10.899 3.975 1.00 0.00 C ATOM 705 O ASN A 46 -14.594 10.626 3.661 1.00 0.00 O ATOM 706 CB ASN A 46 -11.267 10.574 2.778 1.00 0.00 C ATOM 707 CG ASN A 46 -10.350 9.557 2.126 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.328 9.417 0.904 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.588 8.840 2.943 1.00 0.00 N ATOM 0 H ASN A 46 -13.144 8.786 2.157 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.822 9.675 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.784 11.141 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.669 11.285 3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.951 8.139 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.639 8.990 3.951 1.00 0.00 H new ATOM 716 N THR A 47 -13.093 12.038 4.566 1.00 0.00 N ATOM 717 CA THR A 47 -14.079 13.062 4.890 1.00 0.00 C ATOM 718 C THR A 47 -14.341 13.975 3.696 1.00 0.00 C ATOM 719 O THR A 47 -15.418 14.560 3.577 1.00 0.00 O ATOM 720 CB THR A 47 -13.625 13.920 6.086 1.00 0.00 C ATOM 721 OG1 THR A 47 -12.337 14.487 5.823 1.00 0.00 O ATOM 722 CG2 THR A 47 -13.566 13.086 7.357 1.00 0.00 C ATOM 0 H THR A 47 -12.137 12.276 4.831 1.00 0.00 H new ATOM 0 HA THR A 47 -14.999 12.540 5.153 1.00 0.00 H new ATOM 0 HB THR A 47 -14.351 14.720 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.057 15.032 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.243 13.712 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.554 12.679 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.858 12.268 7.223 1.00 0.00 H new ATOM 730 N ASP A 48 -13.351 14.094 2.817 1.00 0.00 N ATOM 731 CA ASP A 48 -13.479 14.938 1.634 1.00 0.00 C ATOM 732 C ASP A 48 -14.479 14.345 0.645 1.00 0.00 C ATOM 733 O ASP A 48 -14.920 15.019 -0.287 1.00 0.00 O ATOM 734 CB ASP A 48 -12.119 15.119 0.958 1.00 0.00 C ATOM 735 CG ASP A 48 -11.398 13.803 0.740 1.00 0.00 C ATOM 736 OD1 ASP A 48 -12.059 12.745 0.805 1.00 0.00 O ATOM 737 OD2 ASP A 48 -10.172 13.830 0.503 1.00 0.00 O ATOM 0 H ASP A 48 -12.453 13.618 2.901 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.848 15.912 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.258 15.617 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.497 15.773 1.569 1.00 0.00 H new ATOM 742 N GLY A 49 -14.837 13.083 0.860 1.00 0.00 N ATOM 743 CA GLY A 49 -15.788 12.422 -0.017 1.00 0.00 C ATOM 744 C GLY A 49 -15.167 11.291 -0.814 1.00 0.00 C ATOM 745 O GLY A 49 -15.858 10.351 -1.207 1.00 0.00 O ATOM 0 H GLY A 49 -14.486 12.506 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.613 12.030 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.211 13.155 -0.704 1.00 0.00 H new ATOM 749 N SER A 50 -13.861 11.379 -1.054 1.00 0.00 N ATOM 750 CA SER A 50 -13.158 10.349 -1.812 1.00 0.00 C ATOM 751 C SER A 50 -12.876 9.127 -0.944 1.00 0.00 C ATOM 752 O SER A 50 -13.367 9.024 0.180 1.00 0.00 O ATOM 753 CB SER A 50 -11.851 10.898 -2.386 1.00 0.00 C ATOM 754 OG SER A 50 -11.317 11.920 -1.563 1.00 0.00 O ATOM 0 H SER A 50 -13.272 12.148 -0.736 1.00 0.00 H new ATOM 0 HA SER A 50 -13.803 10.044 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.126 10.090 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.027 11.290 -3.388 1.00 0.00 H new ATOM 0 HG SER A 50 -11.533 11.732 -0.626 1.00 0.00 H new ATOM 760 N THR A 51 -12.086 8.204 -1.481 1.00 0.00 N ATOM 761 CA THR A 51 -11.735 6.980 -0.769 1.00 0.00 C ATOM 762 C THR A 51 -10.481 6.349 -1.369 1.00 0.00 C ATOM 763 O THR A 51 -10.154 6.594 -2.529 1.00 0.00 O ATOM 764 CB THR A 51 -12.889 5.960 -0.825 1.00 0.00 C ATOM 765 OG1 THR A 51 -14.102 6.562 -0.356 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.577 4.729 0.013 1.00 0.00 C ATOM 0 H THR A 51 -11.675 8.281 -2.411 1.00 0.00 H new ATOM 0 HA THR A 51 -11.545 7.248 0.270 1.00 0.00 H new ATOM 0 HB THR A 51 -13.011 5.650 -1.863 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.889 7.365 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.409 4.028 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.673 4.251 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.425 5.025 1.051 1.00 0.00 H new ATOM 774 N ASP A 52 -9.788 5.530 -0.584 1.00 0.00 N ATOM 775 CA ASP A 52 -8.580 4.857 -1.053 1.00 0.00 C ATOM 776 C ASP A 52 -8.855 3.377 -1.252 1.00 0.00 C ATOM 777 O ASP A 52 -8.849 2.600 -0.296 1.00 0.00 O ATOM 778 CB ASP A 52 -7.441 5.052 -0.052 1.00 0.00 C ATOM 779 CG ASP A 52 -7.467 6.424 0.593 1.00 0.00 C ATOM 780 OD1 ASP A 52 -7.367 7.428 -0.143 1.00 0.00 O ATOM 781 OD2 ASP A 52 -7.587 6.494 1.835 1.00 0.00 O ATOM 0 H ASP A 52 -10.042 5.316 0.380 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.283 5.293 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.507 4.288 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.487 4.910 -0.559 1.00 0.00 H new ATOM 786 N TYR A 53 -9.112 2.996 -2.496 1.00 0.00 N ATOM 787 CA TYR A 53 -9.407 1.609 -2.806 1.00 0.00 C ATOM 788 C TYR A 53 -8.203 0.879 -3.389 1.00 0.00 C ATOM 789 O TYR A 53 -8.111 0.674 -4.597 1.00 0.00 O ATOM 790 CB TYR A 53 -10.580 1.502 -3.779 1.00 0.00 C ATOM 791 CG TYR A 53 -11.884 2.064 -3.255 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.584 1.419 -2.244 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.421 3.230 -3.785 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.782 1.922 -1.773 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.619 3.738 -3.320 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.296 3.081 -2.316 1.00 0.00 C ATOM 797 OH TYR A 53 -15.490 3.584 -1.851 1.00 0.00 O ATOM 0 H TYR A 53 -9.122 3.624 -3.299 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.671 1.133 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.319 2.022 -4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.728 0.453 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.186 0.510 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.894 3.748 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.313 1.410 -0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.023 4.646 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.711 4.405 -2.338 1.00 0.00 H new ATOM 807 N GLY A 54 -7.276 0.494 -2.527 1.00 0.00 N ATOM 808 CA GLY A 54 -6.113 -0.228 -3.016 1.00 0.00 C ATOM 809 C GLY A 54 -4.911 -0.230 -2.103 1.00 0.00 C ATOM 810 O GLY A 54 -4.849 0.502 -1.115 1.00 0.00 O ATOM 0 H GLY A 54 -7.301 0.661 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.403 -1.261 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.818 0.201 -3.973 1.00 0.00 H new ATOM 814 N ILE A 55 -3.932 -1.049 -2.487 1.00 0.00 N ATOM 815 CA ILE A 55 -2.677 -1.159 -1.763 1.00 0.00 C ATOM 816 C ILE A 55 -1.871 0.107 -2.000 1.00 0.00 C ATOM 817 O ILE A 55 -0.964 0.445 -1.240 1.00 0.00 O ATOM 818 CB ILE A 55 -1.856 -2.374 -2.244 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.663 -2.616 -1.317 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.384 -2.150 -3.674 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.186 -3.800 -1.725 1.00 0.00 C ATOM 0 H ILE A 55 -3.992 -1.652 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.895 -1.292 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.492 -3.259 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.040 -1.722 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.027 -2.773 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.805 -3.012 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.248 -2.020 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.760 -1.257 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.013 -3.913 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.423 -4.704 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.580 -3.637 -2.728 1.00 0.00 H new ATOM 833 N LEU A 56 -2.246 0.814 -3.064 1.00 0.00 N ATOM 834 CA LEU A 56 -1.609 2.066 -3.431 1.00 0.00 C ATOM 835 C LEU A 56 -2.628 3.196 -3.323 1.00 0.00 C ATOM 836 O LEU A 56 -2.351 4.334 -3.698 1.00 0.00 O ATOM 837 CB LEU A 56 -1.041 2.001 -4.860 1.00 0.00 C ATOM 838 CG LEU A 56 0.485 2.162 -4.980 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.003 3.201 -3.994 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.177 0.826 -4.756 1.00 0.00 C ATOM 0 H LEU A 56 -2.999 0.531 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.778 2.250 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.323 1.044 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.518 2.779 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 56 0.712 2.509 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.084 3.296 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.533 4.163 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.763 2.889 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.256 0.956 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.936 0.454 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.836 0.110 -5.503 1.00 0.00 H new ATOM 852 N GLN A 57 -3.814 2.864 -2.796 1.00 0.00 N ATOM 853 CA GLN A 57 -4.894 3.832 -2.611 1.00 0.00 C ATOM 854 C GLN A 57 -5.482 4.301 -3.940 1.00 0.00 C ATOM 855 O GLN A 57 -5.239 5.433 -4.360 1.00 0.00 O ATOM 856 CB GLN A 57 -4.396 5.041 -1.813 1.00 0.00 C ATOM 857 CG GLN A 57 -4.025 4.714 -0.378 1.00 0.00 C ATOM 858 CD GLN A 57 -4.226 5.891 0.558 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.795 5.627 1.728 1.00 0.00 O flip ATOM 860 NE2 GLN A 57 -3.872 7.024 0.232 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.048 1.920 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.685 3.326 -2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.527 5.464 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.170 5.809 -1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.627 3.873 -0.033 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.983 4.397 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.438 7.181 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.012 7.806 0.872 1.00 0.00 H new ATOM 869 N ILE A 58 -6.263 3.442 -4.607 1.00 0.00 N ATOM 870 CA ILE A 58 -6.860 3.821 -5.873 1.00 0.00 C ATOM 871 C ILE A 58 -8.162 4.561 -5.631 1.00 0.00 C ATOM 872 O ILE A 58 -9.221 3.948 -5.503 1.00 0.00 O ATOM 873 CB ILE A 58 -7.121 2.596 -6.769 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.931 1.631 -6.713 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.389 3.033 -8.201 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.588 2.300 -6.929 1.00 0.00 C ATOM 0 H ILE A 58 -6.488 2.499 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.155 4.472 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.004 2.076 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.926 1.132 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.067 0.858 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.571 2.155 -8.821 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.264 3.683 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.524 3.574 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.796 1.553 -6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.572 2.775 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.429 3.054 -6.158 1.00 0.00 H new ATOM 888 N ASN A 59 -8.077 5.883 -5.564 1.00 0.00 N ATOM 889 CA ASN A 59 -9.249 6.704 -5.333 1.00 0.00 C ATOM 890 C ASN A 59 -10.226 6.566 -6.486 1.00 0.00 C ATOM 891 O ASN A 59 -10.073 7.214 -7.518 1.00 0.00 O ATOM 892 CB ASN A 59 -8.846 8.169 -5.157 1.00 0.00 C ATOM 893 CG ASN A 59 -10.038 9.077 -4.918 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.104 8.523 -4.351 1.00 0.00 O flip ATOM 895 ND2 ASN A 59 -10.000 10.264 -5.238 1.00 0.00 N flip ATOM 0 H ASN A 59 -7.207 6.406 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.736 6.363 -4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.155 8.254 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.311 8.504 -6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.161 10.649 -5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.808 10.864 -5.070 1.00 0.00 H new ATOM 902 N SER A 60 -11.230 5.719 -6.306 1.00 0.00 N ATOM 903 CA SER A 60 -12.239 5.500 -7.339 1.00 0.00 C ATOM 904 C SER A 60 -12.988 6.790 -7.678 1.00 0.00 C ATOM 905 O SER A 60 -13.806 6.816 -8.597 1.00 0.00 O ATOM 906 CB SER A 60 -13.232 4.428 -6.890 1.00 0.00 C ATOM 907 OG SER A 60 -14.264 4.989 -6.099 1.00 0.00 O ATOM 0 H SER A 60 -11.370 5.172 -5.457 1.00 0.00 H new ATOM 0 HA SER A 60 -11.722 5.163 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.664 3.939 -7.763 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.710 3.660 -6.320 1.00 0.00 H new ATOM 0 HG SER A 60 -13.879 5.628 -5.464 1.00 0.00 H new ATOM 913 N ARG A 61 -12.704 7.862 -6.938 1.00 0.00 N ATOM 914 CA ARG A 61 -13.354 9.148 -7.173 1.00 0.00 C ATOM 915 C ARG A 61 -12.545 9.993 -8.152 1.00 0.00 C ATOM 916 O ARG A 61 -13.097 10.572 -9.089 1.00 0.00 O ATOM 917 CB ARG A 61 -13.532 9.904 -5.855 1.00 0.00 C ATOM 918 CG ARG A 61 -14.621 10.963 -5.903 1.00 0.00 C ATOM 919 CD ARG A 61 -14.036 12.365 -5.843 1.00 0.00 C ATOM 920 NE ARG A 61 -14.874 13.274 -5.066 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.215 14.493 -5.474 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.793 14.947 -6.647 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.981 15.259 -4.709 1.00 0.00 N ATOM 0 H ARG A 61 -12.029 7.864 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.335 8.957 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.766 9.190 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.588 10.378 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.202 10.848 -6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.308 10.818 -5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.040 12.324 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.921 12.754 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.217 12.956 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.205 14.361 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.057 15.882 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.309 14.913 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.242 16.194 -5.022 1.00 0.00 H new ATOM 937 N TRP A 62 -11.236 10.060 -7.932 1.00 0.00 N ATOM 938 CA TRP A 62 -10.353 10.832 -8.801 1.00 0.00 C ATOM 939 C TRP A 62 -9.778 9.951 -9.904 1.00 0.00 C ATOM 940 O TRP A 62 -9.202 10.446 -10.873 1.00 0.00 O ATOM 941 CB TRP A 62 -9.218 11.458 -7.987 1.00 0.00 C ATOM 942 CG TRP A 62 -9.247 12.956 -7.982 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.181 13.756 -7.389 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.300 13.834 -8.599 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.872 15.078 -7.599 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.721 15.152 -8.340 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.135 13.635 -9.346 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.019 16.263 -8.801 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -6.439 14.738 -9.803 1.00 0.00 C ATOM 950 CH2 TRP A 62 -6.883 16.038 -9.528 1.00 0.00 C ATOM 0 H TRP A 62 -10.763 9.590 -7.160 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.939 11.628 -9.261 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.275 11.097 -6.960 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.263 11.122 -8.390 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.038 13.401 -6.836 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.411 15.874 -7.259 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -6.785 12.636 -9.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.360 17.266 -8.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.538 14.596 -10.382 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -6.316 16.880 -9.898 1.00 0.00 H new ATOM 961 N TRP A 63 -9.950 8.642 -9.750 1.00 0.00 N ATOM 962 CA TRP A 63 -9.460 7.677 -10.730 1.00 0.00 C ATOM 963 C TRP A 63 -10.470 6.555 -10.926 1.00 0.00 C ATOM 964 O TRP A 63 -11.261 6.265 -10.033 1.00 0.00 O ATOM 965 CB TRP A 63 -8.130 7.060 -10.278 1.00 0.00 C ATOM 966 CG TRP A 63 -7.083 8.059 -9.901 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.499 8.227 -8.678 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.488 9.019 -10.766 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.570 9.241 -8.738 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.549 9.744 -10.013 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.666 9.332 -12.107 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.785 10.768 -10.569 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.918 10.344 -12.660 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.984 11.057 -11.894 1.00 0.00 C ATOM 0 H TRP A 63 -10.427 8.223 -8.952 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.312 8.213 -11.668 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.317 6.408 -9.425 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.743 6.432 -11.080 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.731 7.650 -7.795 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.993 9.565 -7.962 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.381 8.789 -12.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.064 11.313 -9.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.052 10.594 -13.702 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.412 11.848 -12.356 1.00 0.00 H new ATOM 985 N CYS A 64 -10.393 5.903 -12.084 1.00 0.00 N ATOM 986 CA CYS A 64 -11.254 4.768 -12.426 1.00 0.00 C ATOM 987 C CYS A 64 -12.735 5.004 -12.142 1.00 0.00 C ATOM 988 O CYS A 64 -13.114 5.712 -11.212 1.00 0.00 O ATOM 989 CB CYS A 64 -10.782 3.511 -11.685 1.00 0.00 C ATOM 990 SG CYS A 64 -11.491 3.303 -10.014 1.00 0.00 S ATOM 0 H CYS A 64 -9.728 6.147 -12.818 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.165 4.637 -13.504 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.034 2.636 -12.284 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.695 3.539 -11.604 1.00 0.00 H new ATOM 995 N ASN A 65 -13.575 4.379 -12.961 1.00 0.00 N ATOM 996 CA ASN A 65 -15.020 4.496 -12.807 1.00 0.00 C ATOM 997 C ASN A 65 -15.567 3.318 -12.006 1.00 0.00 C ATOM 998 O ASN A 65 -15.683 2.205 -12.520 1.00 0.00 O ATOM 999 CB ASN A 65 -15.699 4.555 -14.177 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.000 5.333 -14.144 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.115 6.332 -15.010 1.00 0.00 O flip ATOM 1002 ND2 ASN A 65 -17.893 5.039 -13.348 1.00 0.00 N flip ATOM 0 H ASN A 65 -13.280 3.787 -13.737 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.234 5.418 -12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.021 5.016 -14.896 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.894 3.541 -14.527 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.763 4.263 -12.699 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.763 5.572 -13.338 1.00 0.00 H new ATOM 1009 N ASP A 66 -15.892 3.570 -10.742 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.419 2.529 -9.865 1.00 0.00 C ATOM 1011 C ASP A 66 -17.943 2.484 -9.915 1.00 0.00 C ATOM 1012 O ASP A 66 -18.553 1.460 -9.607 1.00 0.00 O ATOM 1013 CB ASP A 66 -15.953 2.762 -8.426 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.547 4.019 -7.822 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.790 4.984 -8.577 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.768 4.039 -6.593 1.00 0.00 O ATOM 0 H ASP A 66 -15.800 4.485 -10.302 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.037 1.571 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.229 1.903 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.865 2.832 -8.406 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.551 3.601 -10.301 1.00 0.00 N ATOM 1022 CA GLY A 67 -19.998 3.667 -10.380 1.00 0.00 C ATOM 1023 C GLY A 67 -20.642 3.918 -9.029 1.00 0.00 C ATOM 1024 O GLY A 67 -21.817 4.274 -8.951 1.00 0.00 O ATOM 0 H GLY A 67 -18.068 4.461 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.285 4.461 -11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.379 2.733 -10.793 1.00 0.00 H new ATOM 1028 N ARG A 68 -19.866 3.737 -7.965 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.364 3.951 -6.610 1.00 0.00 C ATOM 1030 C ARG A 68 -20.264 5.424 -6.231 1.00 0.00 C ATOM 1031 O ARG A 68 -20.588 5.814 -5.110 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.577 3.099 -5.612 1.00 0.00 C ATOM 1033 CG ARG A 68 -19.613 1.611 -5.922 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.634 0.778 -4.651 1.00 0.00 C ATOM 1035 NE ARG A 68 -19.928 -0.626 -4.923 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.962 -1.279 -4.400 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -21.799 -0.655 -3.581 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.162 -2.555 -4.697 1.00 0.00 N ATOM 0 H ARG A 68 -18.891 3.443 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.412 3.652 -6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.540 3.434 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.977 3.263 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.495 1.384 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.743 1.342 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.669 0.856 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.382 1.179 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.305 -1.135 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.650 0.328 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.591 -1.158 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.522 -3.038 -5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.956 -3.054 -4.295 1.00 0.00 H new ATOM 1052 N THR A 69 -19.814 6.238 -7.182 1.00 0.00 N ATOM 1053 CA THR A 69 -19.670 7.671 -6.965 1.00 0.00 C ATOM 1054 C THR A 69 -20.655 8.448 -7.836 1.00 0.00 C ATOM 1055 O THR A 69 -20.887 8.085 -8.990 1.00 0.00 O ATOM 1056 CB THR A 69 -18.236 8.140 -7.281 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.306 7.080 -7.026 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.861 9.355 -6.447 1.00 0.00 C ATOM 0 H THR A 69 -19.542 5.926 -8.114 1.00 0.00 H new ATOM 0 HA THR A 69 -19.882 7.865 -5.914 1.00 0.00 H new ATOM 0 HB THR A 69 -18.197 8.417 -8.334 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.207 6.531 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.844 9.664 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.550 10.171 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.919 9.102 -5.388 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.256 9.525 -7.295 1.00 0.00 N ATOM 1067 CA PRO A 70 -22.222 10.346 -8.032 1.00 0.00 C ATOM 1068 C PRO A 70 -21.747 10.700 -9.438 1.00 0.00 C ATOM 1069 O PRO A 70 -22.552 11.021 -10.312 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.337 11.604 -7.173 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.052 11.138 -5.789 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.047 10.025 -5.920 1.00 0.00 C ATOM 0 HA PRO A 70 -23.166 9.823 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -21.626 12.367 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.331 12.045 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.657 11.950 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -22.961 10.786 -5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.029 10.386 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.216 9.243 -5.179 1.00 0.00 H new ATOM 1080 N GLY A 71 -20.435 10.638 -9.654 1.00 0.00 N ATOM 1081 CA GLY A 71 -19.885 10.955 -10.958 1.00 0.00 C ATOM 1082 C GLY A 71 -18.501 10.369 -11.170 1.00 0.00 C ATOM 1083 O GLY A 71 -18.314 9.505 -12.027 1.00 0.00 O ATOM 0 H GLY A 71 -19.746 10.374 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.556 10.580 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.838 12.038 -11.074 1.00 0.00 H new ATOM 1087 N SER A 72 -17.530 10.861 -10.399 1.00 0.00 N ATOM 1088 CA SER A 72 -16.144 10.405 -10.507 1.00 0.00 C ATOM 1089 C SER A 72 -15.515 10.930 -11.795 1.00 0.00 C ATOM 1090 O SER A 72 -16.199 11.098 -12.805 1.00 0.00 O ATOM 1091 CB SER A 72 -16.067 8.875 -10.467 1.00 0.00 C ATOM 1092 OG SER A 72 -14.889 8.407 -11.102 1.00 0.00 O ATOM 0 H SER A 72 -17.680 11.579 -9.690 1.00 0.00 H new ATOM 0 HA SER A 72 -15.589 10.798 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.086 8.534 -9.432 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.942 8.451 -10.959 1.00 0.00 H new ATOM 0 HG SER A 72 -14.372 7.862 -10.472 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.215 11.203 -11.751 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.505 11.726 -12.913 1.00 0.00 C ATOM 1100 C ARG A 73 -13.311 10.656 -13.983 1.00 0.00 C ATOM 1101 O ARG A 73 -13.508 10.915 -15.171 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.146 12.288 -12.492 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.228 13.286 -11.347 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.396 14.526 -11.628 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.336 15.418 -10.473 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.350 16.744 -10.564 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.421 17.332 -11.751 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.292 17.486 -9.466 1.00 0.00 N ATOM 0 H ARG A 73 -13.632 11.071 -10.924 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.114 12.523 -13.339 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.496 11.463 -12.198 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.680 12.771 -13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.267 13.573 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.882 12.815 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.386 14.229 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.819 15.061 -12.478 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.280 15.000 -9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.465 16.766 -12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.432 18.350 -11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.237 17.039 -8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.303 18.503 -9.537 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.907 9.460 -13.559 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.669 8.356 -14.487 1.00 0.00 C ATOM 1124 C ASN A 74 -11.497 8.704 -15.391 1.00 0.00 C ATOM 1125 O ASN A 74 -11.415 8.263 -16.537 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.919 8.066 -15.323 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.850 6.721 -16.021 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.162 5.807 -15.567 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.565 6.596 -17.133 1.00 0.00 N ATOM 0 H ASN A 74 -12.738 9.231 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.434 7.458 -13.916 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.798 8.093 -14.679 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.045 8.852 -16.067 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.558 5.715 -17.647 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.121 7.381 -17.473 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.581 9.486 -14.837 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.383 9.906 -15.530 1.00 0.00 C ATOM 1138 C LEU A 75 -8.604 8.716 -16.011 1.00 0.00 C ATOM 1139 O LEU A 75 -8.395 8.494 -17.204 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.525 10.659 -14.537 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.712 12.176 -14.534 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.896 12.820 -13.423 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.338 12.767 -15.886 1.00 0.00 C ATOM 0 H LEU A 75 -10.654 9.847 -13.886 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.654 10.522 -16.388 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.738 10.281 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.478 10.438 -14.745 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.765 12.387 -14.348 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.045 13.900 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.218 12.425 -12.459 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.839 12.597 -13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.478 13.848 -15.862 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.294 12.541 -16.106 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.973 12.336 -16.660 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.206 7.959 -15.026 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.463 6.753 -15.222 1.00 0.00 C ATOM 1157 C CYS A 76 -8.205 5.861 -16.208 1.00 0.00 C ATOM 1158 O CYS A 76 -7.601 5.175 -17.032 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.325 6.084 -13.877 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.646 5.507 -13.485 1.00 0.00 S ATOM 0 H CYS A 76 -8.395 8.171 -14.046 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.474 6.954 -15.634 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.644 6.783 -13.104 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.005 5.233 -13.838 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.533 5.889 -16.103 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.396 5.096 -16.969 1.00 0.00 C ATOM 1167 C ASN A 77 -10.014 3.633 -16.863 1.00 0.00 C ATOM 1168 O ASN A 77 -9.777 2.959 -17.866 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.287 5.570 -18.420 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.463 5.124 -19.265 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.618 5.260 -18.862 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.175 4.586 -20.444 1.00 0.00 N ATOM 0 H ASN A 77 -10.035 6.458 -15.421 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.430 5.222 -16.648 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.221 6.658 -18.440 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.364 5.187 -18.856 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.926 4.266 -21.056 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.203 4.493 -20.738 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.934 3.156 -15.629 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.555 1.781 -15.370 1.00 0.00 C ATOM 1181 C ILE A 78 -10.604 1.054 -14.537 1.00 0.00 C ATOM 1182 O ILE A 78 -11.388 1.684 -13.830 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.195 1.715 -14.641 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.394 1.462 -13.136 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.426 3.002 -14.882 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.373 2.142 -12.247 1.00 0.00 C ATOM 0 H ILE A 78 -10.128 3.705 -14.792 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.475 1.287 -16.338 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.617 0.881 -15.040 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.390 1.802 -12.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.360 0.388 -12.953 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.466 2.954 -14.367 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.258 3.131 -15.951 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.001 3.846 -14.501 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.588 1.911 -11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.375 1.785 -12.500 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.421 3.221 -12.397 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.616 -0.286 -14.579 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.549 -1.074 -13.787 1.00 0.00 C ATOM 1200 C PRO A 79 -11.071 -1.142 -12.342 1.00 0.00 C ATOM 1201 O PRO A 79 -10.040 -1.748 -12.050 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.500 -2.448 -14.451 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.125 -2.543 -15.023 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.704 -1.137 -15.371 1.00 0.00 C ATOM 0 HA PRO A 79 -12.558 -0.662 -13.756 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.684 -3.244 -13.729 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.259 -2.540 -15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.436 -2.987 -14.304 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.117 -3.180 -15.907 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.661 -0.956 -15.110 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.803 -0.943 -16.439 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.803 -0.493 -11.445 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.428 -0.456 -10.037 1.00 0.00 C ATOM 1214 C CYS A 80 -11.420 -1.852 -9.414 1.00 0.00 C ATOM 1215 O CYS A 80 -10.382 -2.322 -8.956 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.372 0.475 -9.274 1.00 0.00 C ATOM 1217 SG CYS A 80 -12.948 1.904 -10.255 1.00 0.00 S ATOM 0 H CYS A 80 -12.659 0.015 -11.667 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.411 -0.070 -9.967 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.238 -0.096 -8.938 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -11.865 0.840 -8.381 1.00 0.00 H new ATOM 1222 N SER A 81 -12.578 -2.505 -9.386 1.00 0.00 N ATOM 1223 CA SER A 81 -12.692 -3.842 -8.803 1.00 0.00 C ATOM 1224 C SER A 81 -11.641 -4.800 -9.369 1.00 0.00 C ATOM 1225 O SER A 81 -11.262 -5.771 -8.714 1.00 0.00 O ATOM 1226 CB SER A 81 -14.092 -4.407 -9.050 1.00 0.00 C ATOM 1227 OG SER A 81 -14.386 -4.455 -10.435 1.00 0.00 O ATOM 0 H SER A 81 -13.451 -2.132 -9.759 1.00 0.00 H new ATOM 0 HA SER A 81 -12.518 -3.748 -7.731 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.164 -5.408 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.832 -3.790 -8.539 1.00 0.00 H new ATOM 0 HG SER A 81 -15.285 -4.821 -10.566 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.177 -4.526 -10.585 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.175 -5.372 -11.232 1.00 0.00 C ATOM 1235 C ALA A 82 -8.831 -5.306 -10.507 1.00 0.00 C ATOM 1236 O ALA A 82 -7.884 -6.004 -10.872 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.008 -4.973 -12.688 1.00 0.00 C ATOM 0 H ALA A 82 -11.477 -3.726 -11.143 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.529 -6.402 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.259 -5.611 -13.157 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.959 -5.088 -13.208 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.686 -3.933 -12.746 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.758 -4.467 -9.481 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.533 -4.313 -8.703 1.00 0.00 C ATOM 1245 C LEU A 83 -7.696 -4.920 -7.315 1.00 0.00 C ATOM 1246 O LEU A 83 -6.718 -5.112 -6.591 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.151 -2.831 -8.586 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.786 -2.077 -7.414 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.826 -2.012 -6.237 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.197 -0.677 -7.844 1.00 0.00 C ATOM 0 H LEU A 83 -9.533 -3.882 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.734 -4.842 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.067 -2.759 -8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.429 -2.328 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.678 -2.618 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.295 -1.473 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.578 -3.023 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.916 -1.494 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.647 -0.154 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.319 -0.128 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.921 -0.744 -8.656 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.938 -5.207 -6.947 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.237 -5.778 -5.641 1.00 0.00 C ATOM 1264 C LEU A 84 -9.486 -7.278 -5.741 1.00 0.00 C ATOM 1265 O LEU A 84 -10.358 -7.823 -5.064 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.453 -5.071 -5.048 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.588 -3.609 -5.467 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.038 -3.160 -5.396 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.707 -2.723 -4.598 1.00 0.00 C ATOM 0 H LEU A 84 -9.756 -5.053 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.377 -5.631 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.354 -5.608 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.396 -5.123 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.255 -3.516 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.111 -2.115 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.642 -3.774 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.403 -3.268 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.815 -1.684 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.008 -2.822 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.666 -3.028 -4.706 1.00 0.00 H new ATOM 1281 N SER A 85 -8.700 -7.940 -6.581 1.00 0.00 N ATOM 1282 CA SER A 85 -8.815 -9.383 -6.761 1.00 0.00 C ATOM 1283 C SER A 85 -7.458 -10.044 -6.615 1.00 0.00 C ATOM 1284 O SER A 85 -7.126 -11.002 -7.314 1.00 0.00 O ATOM 1285 CB SER A 85 -9.433 -9.716 -8.121 1.00 0.00 C ATOM 1286 OG SER A 85 -8.567 -9.345 -9.179 1.00 0.00 O ATOM 0 H SER A 85 -7.975 -7.501 -7.149 1.00 0.00 H new ATOM 0 HA SER A 85 -9.475 -9.772 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.643 -10.784 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.386 -9.197 -8.228 1.00 0.00 H new ATOM 0 HG SER A 85 -8.984 -9.570 -10.037 1.00 0.00 H new ATOM 1292 N SER A 86 -6.680 -9.490 -5.702 1.00 0.00 N ATOM 1293 CA SER A 86 -5.329 -9.961 -5.419 1.00 0.00 C ATOM 1294 C SER A 86 -4.445 -9.615 -6.594 1.00 0.00 C ATOM 1295 O SER A 86 -3.432 -10.265 -6.859 1.00 0.00 O ATOM 1296 CB SER A 86 -5.312 -11.470 -5.158 1.00 0.00 C ATOM 1297 OG SER A 86 -6.169 -11.813 -4.083 1.00 0.00 O ATOM 0 H SER A 86 -6.967 -8.695 -5.130 1.00 0.00 H new ATOM 0 HA SER A 86 -4.958 -9.474 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.622 -12.001 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.295 -11.792 -4.933 1.00 0.00 H new ATOM 0 HG SER A 86 -6.758 -12.547 -4.356 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.881 -8.597 -7.316 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.203 -8.137 -8.507 1.00 0.00 C ATOM 1305 C ASP A 87 -3.854 -6.656 -8.408 1.00 0.00 C ATOM 1306 O ASP A 87 -4.741 -5.808 -8.320 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.137 -8.372 -9.682 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.443 -8.245 -11.023 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.370 -8.861 -11.197 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.971 -7.530 -11.901 1.00 0.00 O ATOM 0 H ASP A 87 -5.721 -8.066 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.268 -8.682 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.575 -9.367 -9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.959 -7.657 -9.635 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.562 -6.347 -8.431 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.118 -4.960 -8.354 1.00 0.00 C ATOM 1317 C ILE A 88 -2.047 -4.330 -9.735 1.00 0.00 C ATOM 1318 O ILE A 88 -1.773 -3.142 -9.860 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.738 -4.821 -7.677 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.107 -6.075 -7.904 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.900 -4.538 -6.194 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.590 -5.845 -7.708 1.00 0.00 C ATOM 0 H ILE A 88 -1.809 -7.032 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.858 -4.441 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.216 -3.978 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.225 -6.856 -7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.065 -6.442 -8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.083 -4.443 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.456 -3.610 -6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.444 -5.358 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.129 -6.776 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.936 -5.086 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.774 -5.507 -6.688 1.00 0.00 H new ATOM 1334 N THR A 89 -2.277 -5.131 -10.770 1.00 0.00 N ATOM 1335 CA THR A 89 -2.223 -4.638 -12.142 1.00 0.00 C ATOM 1336 C THR A 89 -3.040 -3.361 -12.313 1.00 0.00 C ATOM 1337 O THR A 89 -2.521 -2.343 -12.766 1.00 0.00 O ATOM 1338 CB THR A 89 -2.731 -5.695 -13.139 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.190 -6.980 -12.810 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.344 -5.327 -14.563 1.00 0.00 C ATOM 0 H THR A 89 -2.502 -6.122 -10.686 1.00 0.00 H new ATOM 0 HA THR A 89 -1.176 -4.420 -12.352 1.00 0.00 H new ATOM 0 HB THR A 89 -3.818 -5.731 -13.072 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.216 -6.913 -12.728 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.714 -6.089 -15.249 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.782 -4.363 -14.821 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.259 -5.265 -14.641 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.323 -3.423 -11.971 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.206 -2.279 -12.109 1.00 0.00 C ATOM 1350 C ALA A 90 -4.787 -1.116 -11.208 1.00 0.00 C ATOM 1351 O ALA A 90 -4.730 0.033 -11.650 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.642 -2.684 -11.822 1.00 0.00 C ATOM 0 H ALA A 90 -4.772 -4.258 -11.595 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.132 -1.932 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.293 -1.816 -11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.949 -3.458 -12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.715 -3.069 -10.805 1.00 0.00 H new ATOM 1358 N SER A 91 -4.490 -1.417 -9.945 1.00 0.00 N ATOM 1359 CA SER A 91 -4.073 -0.393 -8.988 1.00 0.00 C ATOM 1360 C SER A 91 -2.760 0.252 -9.405 1.00 0.00 C ATOM 1361 O SER A 91 -2.550 1.451 -9.207 1.00 0.00 O ATOM 1362 CB SER A 91 -3.928 -1.001 -7.592 1.00 0.00 C ATOM 1363 OG SER A 91 -3.969 -2.417 -7.645 1.00 0.00 O ATOM 0 H SER A 91 -4.530 -2.361 -9.561 1.00 0.00 H new ATOM 0 HA SER A 91 -4.843 0.378 -8.970 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.987 -0.678 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.727 -0.635 -6.948 1.00 0.00 H new ATOM 0 HG SER A 91 -3.873 -2.781 -6.740 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.886 -0.547 -9.989 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.604 -0.035 -10.429 1.00 0.00 C ATOM 1371 C VAL A 92 -0.750 0.753 -11.709 1.00 0.00 C ATOM 1372 O VAL A 92 -0.266 1.864 -11.799 1.00 0.00 O ATOM 1373 CB VAL A 92 0.462 -1.122 -10.643 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.675 -0.518 -11.348 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.861 -1.752 -9.317 1.00 0.00 C ATOM 0 H VAL A 92 -2.038 -1.540 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.261 0.606 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 92 0.047 -1.910 -11.272 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.430 -1.290 -11.499 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.371 -0.114 -12.314 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.091 0.282 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.616 -2.519 -9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.267 -0.985 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.014 -2.204 -8.851 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.421 0.178 -12.697 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.616 0.851 -13.954 1.00 0.00 C ATOM 1387 C ASN A 93 -2.061 2.283 -13.724 1.00 0.00 C ATOM 1388 O ASN A 93 -1.642 3.205 -14.429 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.625 0.088 -14.792 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.830 0.921 -15.186 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.942 0.718 -14.491 1.00 0.00 O flip ATOM 1392 ND2 ASN A 93 -3.761 1.739 -16.104 1.00 0.00 N flip ATOM 0 H ASN A 93 -1.836 -0.752 -12.644 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.671 0.882 -14.497 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.135 -0.279 -15.694 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.963 -0.786 -14.235 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.885 1.863 -16.612 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.580 2.293 -16.356 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.899 2.463 -12.713 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.389 3.782 -12.371 1.00 0.00 C ATOM 1401 C CYS A 94 -2.258 4.643 -11.827 1.00 0.00 C ATOM 1402 O CYS A 94 -2.076 5.780 -12.260 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.521 3.694 -11.349 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.742 5.032 -11.512 1.00 0.00 S ATOM 0 H CYS A 94 -3.250 1.712 -12.119 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.780 4.244 -13.278 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.027 2.735 -11.459 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.098 3.718 -10.345 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.491 4.096 -10.881 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.379 4.843 -10.303 1.00 0.00 C ATOM 1411 C ALA A 95 0.735 5.017 -11.320 1.00 0.00 C ATOM 1412 O ALA A 95 1.384 6.053 -11.358 1.00 0.00 O ATOM 1413 CB ALA A 95 0.144 4.182 -9.054 1.00 0.00 C ATOM 0 H ALA A 95 -1.618 3.156 -10.506 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.754 5.828 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.971 4.767 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.653 4.123 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.492 3.177 -9.293 1.00 0.00 H new ATOM 1419 N LYS A 96 0.932 4.010 -12.165 1.00 0.00 N ATOM 1420 CA LYS A 96 1.941 4.087 -13.204 1.00 0.00 C ATOM 1421 C LYS A 96 1.685 5.375 -13.972 1.00 0.00 C ATOM 1422 O LYS A 96 2.598 6.114 -14.347 1.00 0.00 O ATOM 1423 CB LYS A 96 1.844 2.881 -14.141 1.00 0.00 C ATOM 1424 CG LYS A 96 3.178 2.471 -14.742 1.00 0.00 C ATOM 1425 CD LYS A 96 3.021 1.298 -15.697 1.00 0.00 C ATOM 1426 CE LYS A 96 4.335 0.955 -16.379 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.251 -0.326 -17.135 1.00 0.00 N ATOM 0 H LYS A 96 0.406 3.136 -12.147 1.00 0.00 H new ATOM 0 HA LYS A 96 2.942 4.081 -12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.427 2.037 -13.592 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.147 3.112 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.615 3.317 -15.272 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.871 2.202 -13.944 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.656 0.429 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.271 1.539 -16.450 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.612 1.760 -17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.125 0.884 -15.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.958 -0.326 -17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.435 -1.122 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.300 -0.425 -17.545 1.00 0.00 H new ATOM 1441 N LYS A 97 0.392 5.637 -14.139 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.083 6.837 -14.801 1.00 0.00 C ATOM 1443 C LYS A 97 0.013 8.019 -13.843 1.00 0.00 C ATOM 1444 O LYS A 97 0.245 9.153 -14.260 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.527 6.656 -15.275 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.690 6.752 -16.783 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.868 7.634 -17.161 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.240 7.470 -18.626 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.690 7.181 -18.802 1.00 0.00 N ATOM 0 H LYS A 97 -0.353 5.019 -13.817 1.00 0.00 H new ATOM 0 HA LYS A 97 0.540 7.029 -15.674 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.891 5.685 -14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.153 7.412 -14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.777 7.153 -17.224 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.833 5.755 -17.199 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.726 7.384 -16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.622 8.677 -16.962 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.982 8.379 -19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.653 6.661 -19.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.903 7.076 -19.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.931 6.300 -18.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.250 7.965 -18.410 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.148 7.736 -12.549 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.061 8.771 -11.530 1.00 0.00 C ATOM 1465 C ILE A 98 1.345 9.368 -11.501 1.00 0.00 C ATOM 1466 O ILE A 98 1.522 10.586 -11.524 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.436 8.243 -10.129 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.924 7.878 -10.085 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.119 9.288 -9.067 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.350 7.212 -8.794 1.00 0.00 C ATOM 0 H ILE A 98 -0.338 6.801 -12.188 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.782 9.545 -11.794 1.00 0.00 H new ATOM 0 HB ILE A 98 0.152 7.349 -9.923 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.515 8.782 -10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.151 7.213 -10.918 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.389 8.901 -8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.947 9.516 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.688 10.196 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.415 6.983 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.786 6.289 -8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.156 7.883 -7.957 1.00 0.00 H new ATOM 1482 N VAL A 99 2.339 8.486 -11.454 1.00 0.00 N ATOM 1483 CA VAL A 99 3.737 8.894 -11.425 1.00 0.00 C ATOM 1484 C VAL A 99 4.190 9.398 -12.792 1.00 0.00 C ATOM 1485 O VAL A 99 5.161 10.147 -12.894 1.00 0.00 O ATOM 1486 CB VAL A 99 4.653 7.744 -10.965 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.917 6.764 -12.099 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.959 8.296 -10.411 1.00 0.00 C ATOM 0 H VAL A 99 2.198 7.476 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 99 3.817 9.707 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 99 4.142 7.200 -10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.566 5.964 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.973 6.341 -12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.401 7.285 -12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.596 7.471 -10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.470 8.868 -11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.748 8.944 -9.560 1.00 0.00 H new ATOM 1498 N SER A 100 3.467 9.003 -13.838 1.00 0.00 N ATOM 1499 CA SER A 100 3.789 9.441 -15.192 1.00 0.00 C ATOM 1500 C SER A 100 3.099 10.770 -15.487 1.00 0.00 C ATOM 1501 O SER A 100 3.386 11.428 -16.487 1.00 0.00 O ATOM 1502 CB SER A 100 3.358 8.388 -16.214 1.00 0.00 C ATOM 1503 OG SER A 100 1.985 8.521 -16.537 1.00 0.00 O ATOM 0 H SER A 100 2.659 8.384 -13.774 1.00 0.00 H new ATOM 0 HA SER A 100 4.868 9.574 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.959 8.487 -17.118 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.546 7.391 -15.815 1.00 0.00 H new ATOM 0 HG SER A 100 1.493 8.838 -15.751 1.00 0.00 H new ATOM 1509 N ASP A 101 2.189 11.153 -14.595 1.00 0.00 N ATOM 1510 CA ASP A 101 1.448 12.401 -14.733 1.00 0.00 C ATOM 1511 C ASP A 101 2.069 13.497 -13.873 1.00 0.00 C ATOM 1512 O ASP A 101 1.672 14.660 -13.950 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.016 12.197 -14.342 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.917 12.011 -15.548 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.946 12.912 -16.412 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.594 10.964 -15.627 1.00 0.00 O ATOM 0 H ASP A 101 1.947 10.612 -13.765 1.00 0.00 H new ATOM 0 HA ASP A 101 1.496 12.710 -15.777 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.098 11.325 -13.693 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.358 13.056 -13.765 1.00 0.00 H new ATOM 1521 N GLY A 102 3.044 13.115 -13.054 1.00 0.00 N ATOM 1522 CA GLY A 102 3.708 14.075 -12.191 1.00 0.00 C ATOM 1523 C GLY A 102 3.414 13.835 -10.722 1.00 0.00 C ATOM 1524 O GLY A 102 2.863 14.702 -10.043 1.00 0.00 O ATOM 0 H GLY A 102 3.386 12.158 -12.973 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.784 14.024 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.392 15.082 -12.462 1.00 0.00 H new ATOM 1528 N ASN A 103 3.784 12.657 -10.231 1.00 0.00 N ATOM 1529 CA ASN A 103 3.560 12.304 -8.833 1.00 0.00 C ATOM 1530 C ASN A 103 4.403 11.096 -8.438 1.00 0.00 C ATOM 1531 O ASN A 103 4.021 9.953 -8.684 1.00 0.00 O ATOM 1532 CB ASN A 103 2.078 12.009 -8.591 1.00 0.00 C ATOM 1533 CG ASN A 103 1.368 13.153 -7.895 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.858 13.692 -6.904 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.203 13.528 -8.412 1.00 0.00 N ATOM 0 H ASN A 103 4.241 11.929 -10.781 1.00 0.00 H new ATOM 0 HA ASN A 103 3.859 13.151 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.590 11.808 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.984 11.106 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.322 14.291 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.166 13.053 -9.236 1.00 0.00 H new ATOM 1542 N GLY A 104 5.548 11.358 -7.817 1.00 0.00 N ATOM 1543 CA GLY A 104 6.424 10.282 -7.393 1.00 0.00 C ATOM 1544 C GLY A 104 5.904 9.566 -6.163 1.00 0.00 C ATOM 1545 O GLY A 104 4.696 9.411 -5.995 1.00 0.00 O ATOM 0 H GLY A 104 5.885 12.296 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.536 9.566 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.415 10.685 -7.184 1.00 0.00 H new ATOM 1549 N MET A 105 6.816 9.151 -5.292 1.00 0.00 N ATOM 1550 CA MET A 105 6.448 8.469 -4.063 1.00 0.00 C ATOM 1551 C MET A 105 5.979 9.486 -3.040 1.00 0.00 C ATOM 1552 O MET A 105 5.573 9.136 -1.932 1.00 0.00 O ATOM 1553 CB MET A 105 7.640 7.688 -3.510 1.00 0.00 C ATOM 1554 CG MET A 105 8.590 7.178 -4.581 1.00 0.00 C ATOM 1555 SD MET A 105 7.792 6.051 -5.739 1.00 0.00 S ATOM 1556 CE MET A 105 6.720 5.142 -4.632 1.00 0.00 C ATOM 0 H MET A 105 7.820 9.277 -5.418 1.00 0.00 H new ATOM 0 HA MET A 105 5.641 7.768 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.193 8.327 -2.821 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.271 6.841 -2.932 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.001 8.025 -5.130 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.429 6.670 -4.105 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.589 4.126 -5.005 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.167 5.109 -3.638 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.750 5.636 -4.577 1.00 0.00 H new ATOM 1566 N ASN A 106 6.053 10.751 -3.429 1.00 0.00 N ATOM 1567 CA ASN A 106 5.655 11.847 -2.566 1.00 0.00 C ATOM 1568 C ASN A 106 4.135 11.948 -2.475 1.00 0.00 C ATOM 1569 O ASN A 106 3.592 12.294 -1.425 1.00 0.00 O ATOM 1570 CB ASN A 106 6.239 13.151 -3.103 1.00 0.00 C ATOM 1571 CG ASN A 106 7.538 12.936 -3.854 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.629 13.205 -5.052 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.555 12.447 -3.151 1.00 0.00 N ATOM 0 H ASN A 106 6.389 11.042 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 106 6.038 11.660 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.514 13.625 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.411 13.838 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.454 12.281 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.436 12.238 -2.160 1.00 0.00 H new ATOM 1580 N ALA A 107 3.455 11.643 -3.580 1.00 0.00 N ATOM 1581 CA ALA A 107 1.997 11.699 -3.617 1.00 0.00 C ATOM 1582 C ALA A 107 1.400 10.920 -2.453 1.00 0.00 C ATOM 1583 O ALA A 107 0.520 11.412 -1.746 1.00 0.00 O ATOM 1584 CB ALA A 107 1.481 11.155 -4.941 1.00 0.00 C ATOM 0 H ALA A 107 3.890 11.356 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 107 1.690 12.741 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.392 11.203 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.881 11.752 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.800 10.119 -5.058 1.00 0.00 H new ATOM 1590 N TRP A 108 1.894 9.703 -2.256 1.00 0.00 N ATOM 1591 CA TRP A 108 1.422 8.852 -1.175 1.00 0.00 C ATOM 1592 C TRP A 108 2.065 9.279 0.144 1.00 0.00 C ATOM 1593 O TRP A 108 3.279 9.466 0.226 1.00 0.00 O ATOM 1594 CB TRP A 108 1.711 7.385 -1.503 1.00 0.00 C ATOM 1595 CG TRP A 108 1.040 6.938 -2.772 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.247 6.501 -2.909 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.615 6.901 -4.086 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.507 6.195 -4.225 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.620 6.430 -4.968 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.873 7.220 -4.603 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.848 6.273 -6.337 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.097 7.063 -5.958 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.089 6.595 -6.811 1.00 0.00 C ATOM 0 H TRP A 108 2.623 9.284 -2.834 1.00 0.00 H new ATOM 0 HA TRP A 108 0.343 8.960 -1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.788 7.241 -1.595 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.375 6.758 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.958 6.409 -2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.395 5.849 -4.589 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.657 7.583 -3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.073 5.911 -6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.067 7.306 -6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.297 6.486 -7.865 1.00 0.00 H new ATOM 1614 N VAL A 109 1.226 9.476 1.157 1.00 0.00 N ATOM 1615 CA VAL A 109 1.676 9.936 2.471 1.00 0.00 C ATOM 1616 C VAL A 109 2.406 8.872 3.281 1.00 0.00 C ATOM 1617 O VAL A 109 3.212 9.201 4.152 1.00 0.00 O ATOM 1618 CB VAL A 109 0.508 10.441 3.313 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.905 11.684 4.094 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.722 10.708 2.455 1.00 0.00 C ATOM 0 H VAL A 109 0.220 9.323 1.093 1.00 0.00 H new ATOM 0 HA VAL A 109 2.377 10.741 2.252 1.00 0.00 H new ATOM 0 HB VAL A 109 0.249 9.658 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.057 12.027 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.739 11.447 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.204 12.470 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.535 11.066 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.485 11.462 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.027 9.786 1.959 1.00 0.00 H new ATOM 1630 N ALA A 110 2.134 7.605 3.011 1.00 0.00 N ATOM 1631 CA ALA A 110 2.788 6.527 3.745 1.00 0.00 C ATOM 1632 C ALA A 110 4.271 6.468 3.422 1.00 0.00 C ATOM 1633 O ALA A 110 5.070 5.952 4.205 1.00 0.00 O ATOM 1634 CB ALA A 110 2.125 5.196 3.440 1.00 0.00 C ATOM 0 H ALA A 110 1.473 7.297 2.298 1.00 0.00 H new ATOM 0 HA ALA A 110 2.682 6.732 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.626 4.404 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.076 5.237 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.196 4.990 2.372 1.00 0.00 H new ATOM 1640 N TRP A 111 4.636 7.015 2.272 1.00 0.00 N ATOM 1641 CA TRP A 111 6.029 7.034 1.862 1.00 0.00 C ATOM 1642 C TRP A 111 6.720 8.277 2.410 1.00 0.00 C ATOM 1643 O TRP A 111 7.889 8.224 2.791 1.00 0.00 O ATOM 1644 CB TRP A 111 6.157 6.967 0.338 1.00 0.00 C ATOM 1645 CG TRP A 111 7.578 6.960 -0.141 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.318 5.868 -0.492 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.433 8.098 -0.323 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.578 6.255 -0.880 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.673 7.618 -0.786 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.270 9.475 -0.141 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.742 8.466 -1.068 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.332 10.314 -0.421 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.553 9.808 -0.881 1.00 0.00 C ATOM 0 H TRP A 111 3.991 7.448 1.611 1.00 0.00 H new ATOM 0 HA TRP A 111 6.520 6.152 2.273 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.656 6.069 -0.022 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.638 7.819 -0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.964 4.848 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.322 5.629 -1.188 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.331 9.876 0.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.686 8.078 -1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.218 11.379 -0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.363 10.491 -1.093 1.00 0.00 H new ATOM 1664 N ARG A 112 5.997 9.394 2.474 1.00 0.00 N ATOM 1665 CA ARG A 112 6.552 10.633 3.004 1.00 0.00 C ATOM 1666 C ARG A 112 6.245 10.769 4.491 1.00 0.00 C ATOM 1667 O ARG A 112 5.859 11.841 4.960 1.00 0.00 O ATOM 1668 CB ARG A 112 5.973 11.825 2.259 1.00 0.00 C ATOM 1669 CG ARG A 112 6.897 12.391 1.194 1.00 0.00 C ATOM 1670 CD ARG A 112 7.353 13.799 1.544 1.00 0.00 C ATOM 1671 NE ARG A 112 7.595 14.608 0.352 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.657 15.335 -0.249 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.419 15.353 0.229 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.956 16.044 -1.329 1.00 0.00 N ATOM 0 H ARG A 112 5.027 9.464 2.165 1.00 0.00 H new ATOM 0 HA ARG A 112 7.633 10.607 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 112 5.034 11.528 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.737 12.611 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.766 11.743 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.383 12.402 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.596 14.282 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.265 13.747 2.138 1.00 0.00 H new ATOM 0 HE ARG A 112 8.536 14.616 -0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.185 14.809 1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.702 15.911 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.906 16.032 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.236 16.601 -1.789 1.00 0.00 H new ATOM 1688 N ASN A 113 6.424 9.687 5.226 1.00 0.00 N ATOM 1689 CA ASN A 113 6.170 9.695 6.662 1.00 0.00 C ATOM 1690 C ASN A 113 7.021 8.654 7.372 1.00 0.00 C ATOM 1691 O ASN A 113 7.869 8.985 8.201 1.00 0.00 O ATOM 1692 CB ASN A 113 4.688 9.435 6.941 1.00 0.00 C ATOM 1693 CG ASN A 113 4.108 10.415 7.942 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.301 10.272 9.150 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.393 11.417 7.444 1.00 0.00 N ATOM 0 H ASN A 113 6.744 8.791 4.857 1.00 0.00 H new ATOM 0 HA ASN A 113 6.438 10.679 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.129 9.499 6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.565 8.420 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.978 12.107 8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.259 11.496 6.436 1.00 0.00 H new ATOM 1702 N ARG A 114 6.779 7.393 7.044 1.00 0.00 N ATOM 1703 CA ARG A 114 7.511 6.292 7.650 1.00 0.00 C ATOM 1704 C ARG A 114 8.583 5.751 6.712 1.00 0.00 C ATOM 1705 O ARG A 114 9.294 4.804 7.051 1.00 0.00 O ATOM 1706 CB ARG A 114 6.543 5.176 8.027 1.00 0.00 C ATOM 1707 CG ARG A 114 5.997 5.293 9.440 1.00 0.00 C ATOM 1708 CD ARG A 114 4.572 5.823 9.443 1.00 0.00 C ATOM 1709 NE ARG A 114 4.452 7.066 10.200 1.00 0.00 N ATOM 1710 CZ ARG A 114 4.309 7.115 11.521 1.00 0.00 C ATOM 1711 NH1 ARG A 114 4.267 5.994 12.229 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.208 8.285 12.136 1.00 0.00 N ATOM 0 H ARG A 114 6.079 7.107 6.359 1.00 0.00 H new ATOM 0 HA ARG A 114 8.007 6.668 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.710 5.176 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.049 4.217 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.025 4.317 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.635 5.957 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.245 5.991 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.907 5.073 9.871 1.00 0.00 H new ATOM 0 HE ARG A 114 4.479 7.947 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.345 5.091 11.760 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.157 6.035 13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.240 9.150 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.098 8.321 13.149 1.00 0.00 H new ATOM 1726 N CYS A 115 8.690 6.344 5.528 1.00 0.00 N ATOM 1727 CA CYS A 115 9.672 5.900 4.547 1.00 0.00 C ATOM 1728 C CYS A 115 10.738 6.958 4.291 1.00 0.00 C ATOM 1729 O CYS A 115 11.930 6.651 4.265 1.00 0.00 O ATOM 1730 CB CYS A 115 8.983 5.537 3.235 1.00 0.00 C ATOM 1731 SG CYS A 115 9.964 4.432 2.176 1.00 0.00 S ATOM 0 H CYS A 115 8.112 7.129 5.226 1.00 0.00 H new ATOM 0 HA CYS A 115 10.165 5.019 4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.028 5.060 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.763 6.452 2.685 1.00 0.00 H new ATOM 1736 N LYS A 116 10.308 8.200 4.089 1.00 0.00 N ATOM 1737 CA LYS A 116 11.235 9.294 3.822 1.00 0.00 C ATOM 1738 C LYS A 116 12.283 9.410 4.923 1.00 0.00 C ATOM 1739 O LYS A 116 12.050 10.048 5.951 1.00 0.00 O ATOM 1740 CB LYS A 116 10.473 10.614 3.687 1.00 0.00 C ATOM 1741 CG LYS A 116 11.174 11.634 2.806 1.00 0.00 C ATOM 1742 CD LYS A 116 11.667 12.823 3.615 1.00 0.00 C ATOM 1743 CE LYS A 116 11.095 14.129 3.092 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.155 15.022 2.547 1.00 0.00 N ATOM 0 H LYS A 116 9.325 8.473 4.105 1.00 0.00 H new ATOM 0 HA LYS A 116 11.747 9.077 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.483 10.412 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.327 11.042 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.016 11.162 2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.490 11.979 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.386 12.695 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.756 12.862 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.362 13.918 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.567 14.642 3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.723 15.902 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.841 15.245 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.643 14.544 1.763 1.00 0.00 H new ATOM 1758 N GLY A 117 13.440 8.794 4.700 1.00 0.00 N ATOM 1759 CA GLY A 117 14.506 8.846 5.681 1.00 0.00 C ATOM 1760 C GLY A 117 15.071 7.479 6.014 1.00 0.00 C ATOM 1761 O GLY A 117 15.886 7.349 6.927 1.00 0.00 O ATOM 0 H GLY A 117 13.657 8.261 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.307 9.483 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.131 9.310 6.593 1.00 0.00 H new ATOM 1765 N THR A 118 14.646 6.454 5.278 1.00 0.00 N ATOM 1766 CA THR A 118 15.125 5.097 5.510 1.00 0.00 C ATOM 1767 C THR A 118 15.819 4.544 4.266 1.00 0.00 C ATOM 1768 O THR A 118 16.429 5.296 3.504 1.00 0.00 O ATOM 1769 CB THR A 118 13.972 4.157 5.911 1.00 0.00 C ATOM 1770 OG1 THR A 118 13.005 4.089 4.855 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.300 4.641 7.187 1.00 0.00 C ATOM 0 H THR A 118 13.972 6.539 4.517 1.00 0.00 H new ATOM 0 HA THR A 118 15.841 5.144 6.330 1.00 0.00 H new ATOM 0 HB THR A 118 14.387 3.165 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.664 4.988 4.665 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.489 3.962 7.451 1.00 0.00 H new ATOM 0 HG22 THR A 118 14.030 4.666 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.898 5.642 7.030 1.00 0.00 H new ATOM 1779 N ASP A 119 15.727 3.231 4.060 1.00 0.00 N ATOM 1780 CA ASP A 119 16.353 2.597 2.908 1.00 0.00 C ATOM 1781 C ASP A 119 15.441 1.554 2.267 1.00 0.00 C ATOM 1782 O ASP A 119 15.226 0.477 2.822 1.00 0.00 O ATOM 1783 CB ASP A 119 17.660 1.959 3.308 1.00 0.00 C ATOM 1784 CG ASP A 119 18.670 1.938 2.178 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.052 3.029 1.704 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.078 0.832 1.765 1.00 0.00 O ATOM 0 H ASP A 119 15.226 2.590 4.675 1.00 0.00 H new ATOM 0 HA ASP A 119 16.540 3.376 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 119 18.080 2.501 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.474 0.939 3.643 1.00 0.00 H new ATOM 1791 N VAL A 120 14.917 1.884 1.092 1.00 0.00 N ATOM 1792 CA VAL A 120 14.037 0.985 0.359 1.00 0.00 C ATOM 1793 C VAL A 120 14.841 -0.127 -0.298 1.00 0.00 C ATOM 1794 O VAL A 120 14.355 -1.246 -0.461 1.00 0.00 O ATOM 1795 CB VAL A 120 13.236 1.736 -0.722 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.221 2.670 -0.083 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.169 2.503 -1.645 1.00 0.00 C ATOM 0 H VAL A 120 15.089 2.774 0.625 1.00 0.00 H new ATOM 0 HA VAL A 120 13.338 0.558 1.078 1.00 0.00 H new ATOM 0 HB VAL A 120 12.695 1.003 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.665 3.191 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.530 2.092 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.739 3.398 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.584 3.026 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.741 3.226 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.852 1.807 -2.132 1.00 0.00 H new ATOM 1807 N GLN A 121 16.083 0.186 -0.660 1.00 0.00 N ATOM 1808 CA GLN A 121 16.962 -0.795 -1.278 1.00 0.00 C ATOM 1809 C GLN A 121 17.147 -1.972 -0.333 1.00 0.00 C ATOM 1810 O GLN A 121 17.444 -3.090 -0.756 1.00 0.00 O ATOM 1811 CB GLN A 121 18.317 -0.168 -1.614 1.00 0.00 C ATOM 1812 CG GLN A 121 19.138 -0.983 -2.599 1.00 0.00 C ATOM 1813 CD GLN A 121 20.605 -0.605 -2.590 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.339 -0.939 -1.660 1.00 0.00 O ATOM 1815 NE2 GLN A 121 21.041 0.099 -3.629 1.00 0.00 N ATOM 0 H GLN A 121 16.499 1.109 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 121 16.509 -1.143 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.155 0.828 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.888 -0.043 -0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.038 -2.042 -2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.737 -0.843 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.398 0.354 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 121 22.019 0.384 -3.677 1.00 0.00 H new ATOM 1824 N ALA A 122 16.950 -1.704 0.954 1.00 0.00 N ATOM 1825 CA ALA A 122 17.070 -2.725 1.980 1.00 0.00 C ATOM 1826 C ALA A 122 15.726 -3.406 2.206 1.00 0.00 C ATOM 1827 O ALA A 122 15.664 -4.527 2.710 1.00 0.00 O ATOM 1828 CB ALA A 122 17.584 -2.117 3.277 1.00 0.00 C ATOM 0 H ALA A 122 16.705 -0.780 1.310 1.00 0.00 H new ATOM 0 HA ALA A 122 17.787 -3.474 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.668 -2.895 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.563 -1.669 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.889 -1.350 3.620 1.00 0.00 H new ATOM 1834 N TRP A 123 14.649 -2.722 1.817 1.00 0.00 N ATOM 1835 CA TRP A 123 13.304 -3.274 1.969 1.00 0.00 C ATOM 1836 C TRP A 123 13.135 -4.525 1.111 1.00 0.00 C ATOM 1837 O TRP A 123 12.218 -5.316 1.323 1.00 0.00 O ATOM 1838 CB TRP A 123 12.247 -2.236 1.588 1.00 0.00 C ATOM 1839 CG TRP A 123 11.792 -1.389 2.739 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.620 -0.037 2.739 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.449 -1.836 4.058 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.193 0.383 3.975 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.083 -0.707 4.798 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.415 -3.078 4.687 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.692 -0.791 6.126 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.026 -3.161 6.005 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.668 -2.020 6.715 1.00 0.00 C ATOM 0 H TRP A 123 14.682 -1.793 1.398 1.00 0.00 H new ATOM 0 HA TRP A 123 13.169 -3.545 3.016 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.650 -1.589 0.809 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.384 -2.748 1.162 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.794 0.609 1.891 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.991 1.348 4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.692 -3.970 4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.414 0.094 6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.999 -4.124 6.493 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.367 -2.109 7.748 1.00 0.00 H new ATOM 1858 N ILE A 124 14.030 -4.693 0.143 1.00 0.00 N ATOM 1859 CA ILE A 124 13.989 -5.846 -0.749 1.00 0.00 C ATOM 1860 C ILE A 124 15.330 -6.574 -0.763 1.00 0.00 C ATOM 1861 O ILE A 124 15.575 -7.431 -1.611 1.00 0.00 O ATOM 1862 CB ILE A 124 13.626 -5.433 -2.188 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.557 -4.321 -2.675 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.175 -4.985 -2.260 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.486 -4.754 -3.788 1.00 0.00 C ATOM 0 H ILE A 124 14.794 -4.044 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 124 13.217 -6.515 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 124 13.752 -6.297 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.956 -3.480 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.152 -3.963 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.934 -4.696 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.526 -5.804 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.024 -4.133 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.116 -3.915 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.113 -5.575 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.898 -5.085 -4.644 1.00 0.00 H new ATOM 1877 N ARG A 125 16.194 -6.220 0.184 1.00 0.00 N ATOM 1878 CA ARG A 125 17.513 -6.834 0.286 1.00 0.00 C ATOM 1879 C ARG A 125 17.400 -8.313 0.644 1.00 0.00 C ATOM 1880 O ARG A 125 17.152 -8.666 1.797 1.00 0.00 O ATOM 1881 CB ARG A 125 18.356 -6.107 1.335 1.00 0.00 C ATOM 1882 CG ARG A 125 19.659 -5.547 0.787 1.00 0.00 C ATOM 1883 CD ARG A 125 20.590 -5.105 1.904 1.00 0.00 C ATOM 1884 NE ARG A 125 21.802 -5.919 1.962 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.186 -6.594 3.039 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.458 -6.554 4.147 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.302 -7.311 3.011 1.00 0.00 N ATOM 0 H ARG A 125 16.004 -5.511 0.892 1.00 0.00 H new ATOM 0 HA ARG A 125 18.001 -6.751 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.770 -5.292 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.580 -6.796 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.154 -6.304 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.446 -4.701 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.862 -4.060 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.066 -5.166 2.858 1.00 0.00 H new ATOM 0 HE ARG A 125 22.386 -5.972 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.600 -6.003 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.756 -7.074 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.866 -7.344 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.596 -7.829 3.839 1.00 0.00 H new ATOM 1901 N GLY A 126 17.587 -9.174 -0.353 1.00 0.00 N ATOM 1902 CA GLY A 126 17.504 -10.604 -0.125 1.00 0.00 C ATOM 1903 C GLY A 126 16.248 -11.214 -0.715 1.00 0.00 C ATOM 1904 O GLY A 126 16.042 -12.426 -0.636 1.00 0.00 O ATOM 0 H GLY A 126 17.795 -8.905 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.378 -11.089 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.530 -10.800 0.947 1.00 0.00 H new ATOM 1908 N CYS A 127 15.407 -10.372 -1.307 1.00 0.00 N ATOM 1909 CA CYS A 127 14.164 -10.828 -1.912 1.00 0.00 C ATOM 1910 C CYS A 127 14.425 -11.720 -3.120 1.00 0.00 C ATOM 1911 O CYS A 127 15.570 -12.056 -3.422 1.00 0.00 O ATOM 1912 CB CYS A 127 13.315 -9.640 -2.311 1.00 0.00 C ATOM 1913 SG CYS A 127 12.156 -9.083 -1.020 1.00 0.00 S ATOM 0 H CYS A 127 15.566 -9.367 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 127 13.627 -11.421 -1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.971 -8.811 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.748 -9.897 -3.206 1.00 0.00 H new ATOM 1918 N ARG A 128 13.353 -12.100 -3.809 1.00 0.00 N ATOM 1919 CA ARG A 128 13.463 -12.953 -4.986 1.00 0.00 C ATOM 1920 C ARG A 128 12.728 -12.340 -6.174 1.00 0.00 C ATOM 1921 O ARG A 128 11.625 -12.763 -6.522 1.00 0.00 O ATOM 1922 CB ARG A 128 12.902 -14.345 -4.686 1.00 0.00 C ATOM 1923 CG ARG A 128 13.961 -15.435 -4.663 1.00 0.00 C ATOM 1924 CD ARG A 128 13.376 -16.786 -5.043 1.00 0.00 C ATOM 1925 NE ARG A 128 13.303 -17.692 -3.899 1.00 0.00 N ATOM 1926 CZ ARG A 128 12.580 -18.807 -3.888 1.00 0.00 C ATOM 1927 NH1 ARG A 128 11.872 -19.155 -4.954 1.00 0.00 N ATOM 1928 NH2 ARG A 128 12.565 -19.579 -2.808 1.00 0.00 N ATOM 0 H ARG A 128 12.398 -11.830 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 128 14.519 -13.042 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.394 -14.323 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.152 -14.595 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.765 -15.178 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.402 -15.495 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.378 -16.645 -5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.986 -17.238 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 128 13.837 -17.456 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.881 -18.566 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.319 -20.012 -4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.109 -19.316 -1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.010 -20.435 -2.800 1.00 0.00 H new ATOM 1942 N LEU A 129 13.347 -11.338 -6.793 1.00 0.00 N ATOM 1943 CA LEU A 129 12.753 -10.665 -7.942 1.00 0.00 C ATOM 1944 C LEU A 129 13.748 -10.579 -9.095 1.00 0.00 C ATOM 1945 O LEU A 129 13.309 -10.321 -10.236 1.00 0.00 O ATOM 1946 CB LEU A 129 12.284 -9.262 -7.552 1.00 0.00 C ATOM 1947 CG LEU A 129 13.292 -8.445 -6.739 1.00 0.00 C ATOM 1948 CD1 LEU A 129 14.014 -7.448 -7.633 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.594 -7.730 -5.593 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.957 -10.772 -8.849 1.00 0.00 O ATOM 0 H LEU A 129 14.260 -10.975 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 129 11.893 -11.249 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.041 -8.711 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.362 -9.350 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 129 14.032 -9.126 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.727 -6.876 -7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.545 -7.983 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.288 -6.770 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.324 -7.154 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.833 -7.059 -5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.123 -8.464 -4.939 1.00 0.00 H new