USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1037 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 117 THR OG1 : rot 174:sc= 1.13 USER MOD Set 1.2: A 135 THR OG1 : rot 120:sc= -0.789! USER MOD Set 2.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 130 THR OG1 : rot 131:sc= 0.575 USER MOD Set 3.1: A 103 GLN : amide:sc= 0.365 K(o=0.7,f=0.17) USER MOD Set 3.2: A 105 THR OG1 : rot 180:sc= 0.339 USER MOD Set 4.1: A 104 GLN : amide:sc= -3.86! K(o=-3.3!,f=-0.27) USER MOD Set 4.2: A 107 THR OG1 : rot 110:sc= 0.58 USER MOD Set 5.1: A 72 MET CE :methyl 142:sc= -0.139 (180deg=-0.635) USER MOD Set 5.2: A 74 ASN : amide:sc= 0.955 K(o=1.7,f=1.2) USER MOD Set 5.3: A 95 THR OG1 : rot -134:sc= 0.93 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.03 (180deg=-0.203) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 18 GLN : amide:sc= -0.0743 K(o=-0.074,f=-0.78) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 57:sc= 0.306 USER MOD Single : A 31 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.4!) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= 0.792 (180deg=-2.74!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 48 ASN : amide:sc= 0.55 K(o=0.55,f=-2.8!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0018) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00748 USER MOD Single : A 60 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.33) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.05) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.02! C(o=-2!,f=-8.1!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 68:sc= 0.762 USER MOD Single : A 81 ASN : amide:sc= -3.92! C(o=-3.9!,f=-9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= 0.869 (180deg=-0.357) USER MOD Single : A 87 ASN : amide:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 91 SER OG : rot 7:sc= 1.23 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.795 USER MOD Single : A 106 ASN : amide:sc= 0.558 K(o=0.56,f=-11!) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 112 TYR OH : rot -15:sc= -1.1 USER MOD Single : A 113 THR OG1 : rot -170:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0267) USER MOD Single : A 125 ASN : amide:sc= 0.557 K(o=0.56,f=-0.025) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -2.55! C(o=-2.5!,f=-2.2!) USER MOD Single : A 132 SER OG : rot 177:sc= 0.507 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 80:sc= -0.173 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -14:sc= 0.981 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -15.843 0.787 -6.601 1.00 1.08 N ATOM 32 CA CYS A 3 -14.952 1.845 -6.155 1.00 0.96 C ATOM 33 C CYS A 3 -13.724 1.960 -7.043 1.00 0.83 C ATOM 34 O CYS A 3 -12.853 1.094 -7.026 1.00 0.96 O ATOM 35 CB CYS A 3 -14.523 1.603 -4.709 1.00 1.25 C ATOM 36 SG CYS A 3 -15.749 2.140 -3.474 1.00 1.43 S ATOM 0 HA CYS A 3 -15.503 2.783 -6.219 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -14.326 0.540 -4.572 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -13.585 2.127 -4.526 1.00 1.25 H new ATOM 41 N GLN A 4 -13.657 3.035 -7.815 1.00 0.67 N ATOM 42 CA GLN A 4 -12.491 3.306 -8.624 1.00 0.59 C ATOM 43 C GLN A 4 -11.473 4.070 -7.794 1.00 0.54 C ATOM 44 O GLN A 4 -11.700 5.223 -7.423 1.00 0.53 O ATOM 45 CB GLN A 4 -12.861 4.121 -9.864 1.00 0.59 C ATOM 46 CG GLN A 4 -11.667 4.409 -10.756 1.00 1.45 C ATOM 47 CD GLN A 4 -11.990 5.340 -11.904 1.00 1.65 C ATOM 48 OE1 GLN A 4 -11.853 6.558 -11.788 1.00 2.29 O ATOM 49 NE2 GLN A 4 -12.421 4.775 -13.017 1.00 1.92 N ATOM 0 H GLN A 4 -14.399 3.730 -7.894 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.067 2.358 -8.954 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.615 3.581 -10.437 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.312 5.063 -9.553 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -10.870 4.847 -10.155 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -11.285 3.469 -11.155 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -12.520 3.761 -13.069 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -12.655 5.352 -13.825 1.00 1.92 H new ATOM 58 N VAL A 5 -10.366 3.422 -7.483 1.00 0.56 N ATOM 59 CA VAL A 5 -9.318 4.064 -6.714 1.00 0.57 C ATOM 60 C VAL A 5 -8.457 4.939 -7.616 1.00 0.57 C ATOM 61 O VAL A 5 -8.142 4.571 -8.752 1.00 0.66 O ATOM 62 CB VAL A 5 -8.428 3.035 -5.980 1.00 0.68 C ATOM 63 CG1 VAL A 5 -9.260 2.200 -5.019 1.00 1.00 C ATOM 64 CG2 VAL A 5 -7.695 2.142 -6.971 1.00 1.51 C ATOM 0 H VAL A 5 -10.170 2.457 -7.749 1.00 0.56 H new ATOM 0 HA VAL A 5 -9.804 4.685 -5.961 1.00 0.57 H new ATOM 0 HB VAL A 5 -7.681 3.582 -5.405 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.617 1.481 -4.511 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -9.728 2.852 -4.282 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -10.032 1.667 -5.574 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.076 1.427 -6.428 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -8.420 1.604 -7.581 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -7.063 2.754 -7.614 1.00 1.51 H new ATOM 74 N ARG A 6 -8.120 6.117 -7.132 1.00 0.57 N ATOM 75 CA ARG A 6 -7.211 6.987 -7.847 1.00 0.64 C ATOM 76 C ARG A 6 -5.803 6.819 -7.314 1.00 0.58 C ATOM 77 O ARG A 6 -5.431 7.417 -6.304 1.00 0.65 O ATOM 78 CB ARG A 6 -7.643 8.450 -7.750 1.00 0.80 C ATOM 79 CG ARG A 6 -8.967 8.759 -8.435 1.00 1.47 C ATOM 80 CD ARG A 6 -8.888 8.576 -9.947 1.00 1.67 C ATOM 81 NE ARG A 6 -8.767 7.172 -10.338 1.00 1.92 N ATOM 82 CZ ARG A 6 -8.381 6.765 -11.546 1.00 2.75 C ATOM 83 NH1 ARG A 6 -8.067 7.648 -12.483 1.00 3.23 N ATOM 84 NH2 ARG A 6 -8.300 5.470 -11.814 1.00 3.57 N ATOM 0 H ARG A 6 -8.462 6.493 -6.248 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.233 6.703 -8.899 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -7.719 8.725 -6.698 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.866 9.076 -8.188 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -9.743 8.109 -8.032 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.261 9.784 -8.209 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -9.779 9.002 -10.408 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -8.033 9.132 -10.332 1.00 1.67 H new ATOM 0 HE ARG A 6 -8.992 6.461 -9.643 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -8.120 8.646 -12.281 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -7.772 7.329 -13.406 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -8.533 4.785 -11.095 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -8.004 5.158 -12.739 1.00 3.57 H new ATOM 98 N VAL A 7 -5.042 5.968 -7.977 1.00 0.58 N ATOM 99 CA VAL A 7 -3.658 5.747 -7.621 1.00 0.57 C ATOM 100 C VAL A 7 -2.769 6.181 -8.778 1.00 0.68 C ATOM 101 O VAL A 7 -3.108 5.971 -9.944 1.00 0.85 O ATOM 102 CB VAL A 7 -3.394 4.263 -7.266 1.00 0.64 C ATOM 103 CG1 VAL A 7 -3.568 3.364 -8.479 1.00 1.20 C ATOM 104 CG2 VAL A 7 -2.010 4.090 -6.657 1.00 1.26 C ATOM 0 H VAL A 7 -5.365 5.416 -8.771 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.427 6.340 -6.736 1.00 0.57 H new ATOM 0 HB VAL A 7 -4.133 3.963 -6.523 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -3.376 2.329 -8.196 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -4.587 3.454 -8.855 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.866 3.663 -9.257 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -1.847 3.040 -6.416 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -1.255 4.420 -7.370 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -1.935 4.687 -5.748 1.00 1.26 H new ATOM 114 N GLY A 8 -1.654 6.810 -8.461 1.00 0.77 N ATOM 115 CA GLY A 8 -0.776 7.301 -9.492 1.00 0.96 C ATOM 116 C GLY A 8 0.633 6.789 -9.322 1.00 0.75 C ATOM 117 O GLY A 8 1.154 6.755 -8.208 1.00 0.86 O ATOM 0 H GLY A 8 -1.341 6.989 -7.507 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.157 6.999 -10.468 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -0.771 8.391 -9.476 1.00 0.96 H new ATOM 121 N ASP A 9 1.238 6.367 -10.422 1.00 0.57 N ATOM 122 CA ASP A 9 2.615 5.899 -10.406 1.00 0.45 C ATOM 123 C ASP A 9 3.550 7.060 -10.110 1.00 0.50 C ATOM 124 O ASP A 9 3.766 7.933 -10.954 1.00 0.73 O ATOM 125 CB ASP A 9 2.990 5.266 -11.746 1.00 0.56 C ATOM 126 CG ASP A 9 2.109 4.086 -12.105 1.00 1.37 C ATOM 127 OD1 ASP A 9 0.969 4.307 -12.565 1.00 1.77 O ATOM 128 OD2 ASP A 9 2.547 2.935 -11.920 1.00 2.18 O ATOM 0 H ASP A 9 0.795 6.339 -11.340 1.00 0.57 H new ATOM 0 HA ASP A 9 2.712 5.143 -9.626 1.00 0.45 H new ATOM 0 HB2 ASP A 9 2.919 6.019 -12.531 1.00 0.56 H new ATOM 0 HB3 ASP A 9 4.030 4.940 -11.710 1.00 0.56 H new ATOM 133 N LEU A 10 4.087 7.085 -8.908 1.00 0.52 N ATOM 134 CA LEU A 10 4.947 8.176 -8.488 1.00 0.65 C ATOM 135 C LEU A 10 6.354 7.674 -8.200 1.00 0.49 C ATOM 136 O LEU A 10 6.548 6.512 -7.836 1.00 0.57 O ATOM 137 CB LEU A 10 4.345 8.898 -7.272 1.00 0.95 C ATOM 138 CG LEU A 10 3.993 8.023 -6.062 1.00 0.76 C ATOM 139 CD1 LEU A 10 5.207 7.798 -5.172 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.860 8.655 -5.267 1.00 1.41 C ATOM 0 H LEU A 10 3.944 6.362 -8.203 1.00 0.52 H new ATOM 0 HA LEU A 10 5.017 8.897 -9.302 1.00 0.65 H new ATOM 0 HB2 LEU A 10 5.050 9.663 -6.946 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.441 9.414 -7.595 1.00 0.95 H new ATOM 0 HG LEU A 10 3.665 7.051 -6.431 1.00 0.76 H new ATOM 0 HD11 LEU A 10 4.925 7.175 -4.323 1.00 1.05 H new ATOM 0 HD12 LEU A 10 5.990 7.300 -5.744 1.00 1.05 H new ATOM 0 HD13 LEU A 10 5.576 8.758 -4.810 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.620 8.024 -4.411 1.00 1.41 H new ATOM 0 HD22 LEU A 10 3.167 9.640 -4.917 1.00 1.41 H new ATOM 0 HD23 LEU A 10 1.980 8.754 -5.903 1.00 1.41 H new ATOM 152 N THR A 11 7.330 8.545 -8.386 1.00 0.49 N ATOM 153 CA THR A 11 8.721 8.193 -8.170 1.00 0.47 C ATOM 154 C THR A 11 9.334 9.097 -7.102 1.00 0.53 C ATOM 155 O THR A 11 9.295 10.325 -7.217 1.00 0.66 O ATOM 156 CB THR A 11 9.529 8.312 -9.477 1.00 0.63 C ATOM 157 OG1 THR A 11 8.862 7.593 -10.528 1.00 1.03 O ATOM 158 CG2 THR A 11 10.937 7.762 -9.301 1.00 0.99 C ATOM 0 H THR A 11 7.182 9.508 -8.688 1.00 0.49 H new ATOM 0 HA THR A 11 8.759 7.157 -7.832 1.00 0.47 H new ATOM 0 HB THR A 11 9.600 9.368 -9.739 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.378 7.673 -11.357 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.485 7.858 -10.238 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.452 8.322 -8.520 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.884 6.711 -9.018 1.00 0.99 H new ATOM 166 N VAL A 12 9.873 8.487 -6.056 1.00 0.52 N ATOM 167 CA VAL A 12 10.467 9.233 -4.953 1.00 0.63 C ATOM 168 C VAL A 12 11.858 8.698 -4.635 1.00 0.48 C ATOM 169 O VAL A 12 12.070 7.484 -4.590 1.00 0.57 O ATOM 170 CB VAL A 12 9.598 9.151 -3.674 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.164 10.035 -2.575 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.153 9.522 -3.968 1.00 1.45 C ATOM 0 H VAL A 12 9.912 7.474 -5.947 1.00 0.52 H new ATOM 0 HA VAL A 12 10.530 10.274 -5.269 1.00 0.63 H new ATOM 0 HB VAL A 12 9.618 8.118 -3.326 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.536 9.960 -1.688 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.176 9.710 -2.332 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.187 11.070 -2.916 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.567 9.455 -3.052 1.00 1.45 H new ATOM 0 HG22 VAL A 12 8.110 10.541 -4.353 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.745 8.836 -4.710 1.00 1.45 H new ATOM 182 N ALA A 13 12.806 9.602 -4.437 1.00 0.44 N ATOM 183 CA ALA A 13 14.149 9.218 -4.041 1.00 0.43 C ATOM 184 C ALA A 13 14.372 9.493 -2.556 1.00 0.45 C ATOM 185 O ALA A 13 14.708 10.613 -2.163 1.00 0.57 O ATOM 186 CB ALA A 13 15.183 9.947 -4.889 1.00 0.59 C ATOM 0 H ALA A 13 12.668 10.607 -4.545 1.00 0.44 H new ATOM 0 HA ALA A 13 14.265 8.147 -4.207 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.184 9.648 -4.579 1.00 0.59 H new ATOM 0 HB2 ALA A 13 15.037 9.693 -5.939 1.00 0.59 H new ATOM 0 HB3 ALA A 13 15.069 11.023 -4.757 1.00 0.59 H new ATOM 192 N LYS A 14 14.188 8.462 -1.737 1.00 0.43 N ATOM 193 CA LYS A 14 14.330 8.578 -0.287 1.00 0.50 C ATOM 194 C LYS A 14 14.926 7.303 0.288 1.00 0.41 C ATOM 195 O LYS A 14 14.933 6.264 -0.367 1.00 0.41 O ATOM 196 CB LYS A 14 12.972 8.839 0.386 1.00 0.67 C ATOM 197 CG LYS A 14 12.354 10.194 0.070 1.00 1.47 C ATOM 198 CD LYS A 14 13.120 11.333 0.719 1.00 2.23 C ATOM 199 CE LYS A 14 12.475 12.678 0.418 1.00 2.52 C ATOM 200 NZ LYS A 14 11.104 12.789 0.993 1.00 3.42 N ATOM 0 H LYS A 14 13.937 7.526 -2.056 1.00 0.43 H new ATOM 0 HA LYS A 14 14.992 9.421 -0.088 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.275 8.058 0.082 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.095 8.754 1.466 1.00 0.67 H new ATOM 0 HG2 LYS A 14 12.333 10.340 -1.010 1.00 1.47 H new ATOM 0 HG3 LYS A 14 11.320 10.210 0.414 1.00 1.47 H new ATOM 0 HD2 LYS A 14 13.159 11.180 1.797 1.00 2.23 H new ATOM 0 HD3 LYS A 14 14.149 11.333 0.360 1.00 2.23 H new ATOM 0 HE2 LYS A 14 13.100 13.476 0.818 1.00 2.52 H new ATOM 0 HE3 LYS A 14 12.427 12.822 -0.661 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 10.792 13.780 0.958 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 10.448 12.200 0.442 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 11.115 12.464 1.981 1.00 3.42 H new ATOM 214 N THR A 15 15.419 7.386 1.511 1.00 0.46 N ATOM 215 CA THR A 15 15.952 6.223 2.197 1.00 0.44 C ATOM 216 C THR A 15 14.864 5.548 3.024 1.00 0.44 C ATOM 217 O THR A 15 13.944 6.204 3.509 1.00 0.50 O ATOM 218 CB THR A 15 17.124 6.615 3.117 1.00 0.49 C ATOM 219 OG1 THR A 15 16.738 7.701 3.971 1.00 0.63 O ATOM 220 CG2 THR A 15 18.343 7.014 2.304 1.00 0.52 C ATOM 0 H THR A 15 15.461 8.250 2.051 1.00 0.46 H new ATOM 0 HA THR A 15 16.315 5.528 1.440 1.00 0.44 H new ATOM 0 HB THR A 15 17.381 5.748 3.725 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.489 7.942 4.553 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.156 7.286 2.977 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.654 6.177 1.679 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.095 7.866 1.671 1.00 0.52 H new ATOM 228 N ARG A 16 14.966 4.234 3.194 1.00 0.40 N ATOM 229 CA ARG A 16 13.999 3.505 4.014 1.00 0.43 C ATOM 230 C ARG A 16 14.367 3.626 5.488 1.00 0.46 C ATOM 231 O ARG A 16 13.698 3.073 6.359 1.00 0.55 O ATOM 232 CB ARG A 16 13.903 2.030 3.595 1.00 0.50 C ATOM 233 CG ARG A 16 13.392 1.835 2.174 1.00 0.57 C ATOM 234 CD ARG A 16 14.495 1.395 1.224 1.00 0.68 C ATOM 235 NE ARG A 16 14.774 -0.040 1.321 1.00 1.22 N ATOM 236 CZ ARG A 16 15.881 -0.552 1.865 1.00 2.43 C ATOM 237 NH1 ARG A 16 16.806 0.250 2.375 1.00 3.01 N ATOM 238 NH2 ARG A 16 16.070 -1.865 1.897 1.00 3.14 N ATOM 0 H ARG A 16 15.698 3.656 2.782 1.00 0.40 H new ATOM 0 HA ARG A 16 13.017 3.952 3.858 1.00 0.43 H new ATOM 0 HB2 ARG A 16 14.887 1.570 3.685 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.242 1.506 4.286 1.00 0.50 H new ATOM 0 HG2 ARG A 16 12.596 1.090 2.175 1.00 0.57 H new ATOM 0 HG3 ARG A 16 12.956 2.767 1.815 1.00 0.57 H new ATOM 0 HD2 ARG A 16 14.209 1.639 0.201 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.404 1.955 1.442 1.00 0.68 H new ATOM 0 HE ARG A 16 14.080 -0.688 0.950 1.00 1.22 H new ATOM 0 HH11 ARG A 16 16.673 1.261 2.352 1.00 3.01 H new ATOM 0 HH12 ARG A 16 17.650 -0.144 2.790 1.00 3.01 H new ATOM 0 HH21 ARG A 16 15.367 -2.491 1.504 1.00 3.14 H new ATOM 0 HH22 ARG A 16 16.918 -2.248 2.314 1.00 3.14 H new ATOM 252 N GLY A 17 15.454 4.341 5.750 1.00 0.47 N ATOM 253 CA GLY A 17 15.847 4.645 7.112 1.00 0.58 C ATOM 254 C GLY A 17 15.118 5.864 7.621 1.00 0.61 C ATOM 255 O GLY A 17 14.972 6.057 8.828 1.00 0.75 O ATOM 0 H GLY A 17 16.076 4.719 5.035 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.632 3.792 7.756 1.00 0.58 H new ATOM 0 HA3 GLY A 17 16.923 4.815 7.156 1.00 0.58 H new ATOM 259 N GLN A 18 14.660 6.687 6.681 1.00 0.58 N ATOM 260 CA GLN A 18 13.797 7.819 6.984 1.00 0.70 C ATOM 261 C GLN A 18 12.556 7.326 7.716 1.00 0.64 C ATOM 262 O GLN A 18 11.992 8.011 8.571 1.00 0.72 O ATOM 263 CB GLN A 18 13.418 8.529 5.675 1.00 0.86 C ATOM 264 CG GLN A 18 12.409 9.659 5.823 1.00 1.02 C ATOM 265 CD GLN A 18 12.841 10.723 6.816 1.00 1.49 C ATOM 266 OE1 GLN A 18 14.035 10.941 7.042 1.00 2.00 O ATOM 267 NE2 GLN A 18 11.869 11.406 7.398 1.00 2.17 N ATOM 0 H GLN A 18 14.878 6.586 5.690 1.00 0.58 H new ATOM 0 HA GLN A 18 14.317 8.529 7.627 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.325 8.929 5.221 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.014 7.790 4.983 1.00 0.86 H new ATOM 0 HG2 GLN A 18 12.249 10.123 4.850 1.00 1.02 H new ATOM 0 HG3 GLN A 18 11.452 9.243 6.139 1.00 1.02 H new ATOM 0 HE21 GLN A 18 10.895 11.192 7.182 1.00 2.17 H new ATOM 0 HE22 GLN A 18 12.093 12.146 8.063 1.00 2.17 H new ATOM 276 N LEU A 19 12.166 6.108 7.388 1.00 0.60 N ATOM 277 CA LEU A 19 11.025 5.480 8.008 1.00 0.62 C ATOM 278 C LEU A 19 11.468 4.718 9.249 1.00 0.78 C ATOM 279 O LEU A 19 12.171 3.711 9.159 1.00 1.61 O ATOM 280 CB LEU A 19 10.353 4.520 7.028 1.00 0.62 C ATOM 281 CG LEU A 19 10.324 4.976 5.570 1.00 0.52 C ATOM 282 CD1 LEU A 19 9.646 3.927 4.703 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.621 6.315 5.445 1.00 0.89 C ATOM 0 H LEU A 19 12.632 5.532 6.687 1.00 0.60 H new ATOM 0 HA LEU A 19 10.310 6.252 8.293 1.00 0.62 H new ATOM 0 HB2 LEU A 19 10.866 3.560 7.079 1.00 0.62 H new ATOM 0 HB3 LEU A 19 9.328 4.352 7.358 1.00 0.62 H new ATOM 0 HG LEU A 19 11.350 5.098 5.222 1.00 0.52 H new ATOM 0 HD11 LEU A 19 9.632 4.265 3.667 1.00 0.92 H new ATOM 0 HD12 LEU A 19 10.195 2.988 4.771 1.00 0.92 H new ATOM 0 HD13 LEU A 19 8.623 3.775 5.049 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.610 6.624 4.400 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.597 6.224 5.807 1.00 0.89 H new ATOM 0 HD23 LEU A 19 10.150 7.061 6.038 1.00 0.89 H new ATOM 295 N THR A 20 11.067 5.209 10.403 1.00 0.68 N ATOM 296 CA THR A 20 11.370 4.556 11.658 1.00 0.69 C ATOM 297 C THR A 20 10.091 3.935 12.200 1.00 0.66 C ATOM 298 O THR A 20 9.450 4.471 13.106 1.00 0.73 O ATOM 299 CB THR A 20 11.974 5.548 12.669 1.00 0.80 C ATOM 300 OG1 THR A 20 13.004 6.312 12.022 1.00 1.51 O ATOM 301 CG2 THR A 20 12.563 4.817 13.864 1.00 1.65 C ATOM 0 H THR A 20 10.525 6.068 10.497 1.00 0.68 H new ATOM 0 HA THR A 20 12.115 3.777 11.493 1.00 0.69 H new ATOM 0 HB THR A 20 11.182 6.207 13.025 1.00 0.80 H new ATOM 0 HG1 THR A 20 13.391 6.947 12.661 1.00 1.51 H new ATOM 0 HG21 THR A 20 12.983 5.541 14.563 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.781 4.244 14.362 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.349 4.141 13.526 1.00 1.65 H new ATOM 309 N ASP A 21 9.715 2.824 11.579 1.00 0.61 N ATOM 310 CA ASP A 21 8.424 2.177 11.797 1.00 0.61 C ATOM 311 C ASP A 21 7.286 3.106 11.374 1.00 0.58 C ATOM 312 O ASP A 21 6.931 3.157 10.198 1.00 0.73 O ATOM 313 CB ASP A 21 8.234 1.705 13.244 1.00 0.69 C ATOM 314 CG ASP A 21 6.952 0.910 13.408 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.852 -0.191 12.834 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.047 1.379 14.134 1.00 1.83 O ATOM 0 H ASP A 21 10.304 2.340 10.901 1.00 0.61 H new ATOM 0 HA ASP A 21 8.405 1.283 11.174 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.084 1.091 13.542 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.215 2.568 13.909 1.00 0.69 H new ATOM 321 N ALA A 22 6.750 3.876 12.311 1.00 0.65 N ATOM 322 CA ALA A 22 5.662 4.788 12.000 1.00 0.68 C ATOM 323 C ALA A 22 6.194 6.109 11.446 1.00 0.62 C ATOM 324 O ALA A 22 6.226 7.128 12.139 1.00 0.72 O ATOM 325 CB ALA A 22 4.785 5.020 13.221 1.00 0.82 C ATOM 0 H ALA A 22 7.049 3.887 13.286 1.00 0.65 H new ATOM 0 HA ALA A 22 5.047 4.328 11.227 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.978 5.706 12.964 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.363 4.071 13.552 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.385 5.450 14.023 1.00 0.82 H new ATOM 331 N ALA A 23 6.650 6.058 10.205 1.00 0.59 N ATOM 332 CA ALA A 23 7.084 7.237 9.472 1.00 0.59 C ATOM 333 C ALA A 23 6.897 6.987 7.981 1.00 0.64 C ATOM 334 O ALA A 23 7.411 6.007 7.452 1.00 0.79 O ATOM 335 CB ALA A 23 8.538 7.566 9.783 1.00 0.71 C ATOM 0 H ALA A 23 6.730 5.191 9.674 1.00 0.59 H new ATOM 0 HA ALA A 23 6.482 8.093 9.777 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.839 8.451 9.223 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.647 7.758 10.850 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.170 6.725 9.499 1.00 0.71 H new ATOM 341 N PRO A 24 6.108 7.830 7.305 1.00 0.62 N ATOM 342 CA PRO A 24 5.821 7.684 5.881 1.00 0.72 C ATOM 343 C PRO A 24 6.814 8.415 4.977 1.00 0.78 C ATOM 344 O PRO A 24 7.399 9.429 5.357 1.00 1.12 O ATOM 345 CB PRO A 24 4.441 8.321 5.773 1.00 0.79 C ATOM 346 CG PRO A 24 4.487 9.439 6.762 1.00 0.75 C ATOM 347 CD PRO A 24 5.388 8.976 7.885 1.00 0.63 C ATOM 0 HA PRO A 24 5.883 6.646 5.555 1.00 0.72 H new ATOM 0 HB2 PRO A 24 4.247 8.687 4.765 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.652 7.608 6.011 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.874 10.349 6.303 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.489 9.670 7.134 1.00 0.75 H new ATOM 0 HD2 PRO A 24 6.074 9.763 8.198 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.814 8.685 8.765 1.00 0.63 H new ATOM 355 N ILE A 25 6.996 7.883 3.778 1.00 0.58 N ATOM 356 CA ILE A 25 7.830 8.524 2.765 1.00 0.64 C ATOM 357 C ILE A 25 6.977 9.298 1.776 1.00 0.59 C ATOM 358 O ILE A 25 7.063 10.524 1.687 1.00 0.95 O ATOM 359 CB ILE A 25 8.672 7.503 1.977 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.166 6.088 2.242 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.145 7.635 2.336 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.803 5.030 1.363 1.00 2.58 C ATOM 0 H ILE A 25 6.576 7.003 3.479 1.00 0.58 H new ATOM 0 HA ILE A 25 8.498 9.199 3.300 1.00 0.64 H new ATOM 0 HB ILE A 25 8.568 7.709 0.912 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.351 5.837 3.287 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.086 6.066 2.095 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.724 6.906 1.770 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.490 8.640 2.093 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.277 7.454 3.403 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.390 4.053 1.613 1.00 2.58 H new ATOM 0 HD12 ILE A 25 8.597 5.254 0.316 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.881 5.022 1.527 1.00 2.58 H new ATOM 374 N GLY A 26 6.150 8.576 1.034 1.00 0.62 N ATOM 375 CA GLY A 26 5.326 9.203 0.025 1.00 0.74 C ATOM 376 C GLY A 26 3.845 8.961 0.239 1.00 0.56 C ATOM 377 O GLY A 26 3.269 8.085 -0.399 1.00 0.65 O ATOM 0 H GLY A 26 6.036 7.566 1.114 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.517 10.276 0.022 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.613 8.826 -0.957 1.00 0.74 H new ATOM 381 N PRO A 27 3.218 9.681 1.185 1.00 0.48 N ATOM 382 CA PRO A 27 1.761 9.730 1.325 1.00 0.44 C ATOM 383 C PRO A 27 1.058 9.994 -0.007 1.00 0.48 C ATOM 384 O PRO A 27 1.161 11.082 -0.578 1.00 0.61 O ATOM 385 CB PRO A 27 1.524 10.896 2.303 1.00 0.51 C ATOM 386 CG PRO A 27 2.860 11.541 2.493 1.00 0.66 C ATOM 387 CD PRO A 27 3.867 10.462 2.238 1.00 0.67 C ATOM 0 HA PRO A 27 1.357 8.781 1.676 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.801 11.605 1.900 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.124 10.537 3.251 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.995 12.374 1.803 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.962 11.942 3.501 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.825 10.867 1.913 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.059 9.865 3.129 1.00 0.67 H new ATOM 395 N VAL A 28 0.361 8.983 -0.493 1.00 0.45 N ATOM 396 CA VAL A 28 -0.353 9.061 -1.754 1.00 0.54 C ATOM 397 C VAL A 28 -1.751 9.627 -1.536 1.00 0.57 C ATOM 398 O VAL A 28 -2.454 9.223 -0.604 1.00 0.58 O ATOM 399 CB VAL A 28 -0.476 7.663 -2.409 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.079 7.760 -3.804 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.876 6.967 -2.461 1.00 1.07 C ATOM 0 H VAL A 28 0.274 8.082 -0.023 1.00 0.45 H new ATOM 0 HA VAL A 28 0.213 9.717 -2.415 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.147 7.066 -1.791 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.153 6.763 -4.239 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.073 8.203 -3.741 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.443 8.384 -4.433 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.763 5.987 -2.925 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.572 7.568 -3.046 1.00 1.07 H new ATOM 0 HG23 VAL A 28 1.262 6.847 -1.449 1.00 1.07 H new ATOM 411 N THR A 29 -2.146 10.563 -2.384 1.00 0.61 N ATOM 412 CA THR A 29 -3.490 11.107 -2.337 1.00 0.67 C ATOM 413 C THR A 29 -4.479 10.139 -2.984 1.00 0.65 C ATOM 414 O THR A 29 -4.860 10.299 -4.146 1.00 0.75 O ATOM 415 CB THR A 29 -3.568 12.479 -3.037 1.00 0.79 C ATOM 416 OG1 THR A 29 -3.003 12.392 -4.354 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.836 13.542 -2.231 1.00 1.37 C ATOM 0 H THR A 29 -1.553 10.961 -3.113 1.00 0.61 H new ATOM 0 HA THR A 29 -3.753 11.244 -1.288 1.00 0.67 H new ATOM 0 HB THR A 29 -4.617 12.764 -3.112 1.00 0.79 H new ATOM 0 HG1 THR A 29 -3.470 11.698 -4.865 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.905 14.501 -2.745 1.00 1.37 H new ATOM 0 HG22 THR A 29 -3.290 13.626 -1.243 1.00 1.37 H new ATOM 0 HG23 THR A 29 -1.788 13.262 -2.126 1.00 1.37 H new ATOM 425 N VAL A 30 -4.863 9.111 -2.235 1.00 0.62 N ATOM 426 CA VAL A 30 -5.776 8.101 -2.742 1.00 0.61 C ATOM 427 C VAL A 30 -7.211 8.569 -2.608 1.00 0.62 C ATOM 428 O VAL A 30 -7.728 8.734 -1.505 1.00 0.87 O ATOM 429 CB VAL A 30 -5.627 6.763 -1.995 1.00 0.77 C ATOM 430 CG1 VAL A 30 -6.506 5.691 -2.621 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.172 6.319 -1.968 1.00 1.01 C ATOM 0 H VAL A 30 -4.554 8.958 -1.275 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.524 7.947 -3.791 1.00 0.61 H new ATOM 0 HB VAL A 30 -5.956 6.912 -0.967 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -6.383 4.755 -2.076 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -7.549 6.003 -2.575 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.216 5.545 -3.662 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.091 5.372 -1.435 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -3.811 6.194 -2.989 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -3.571 7.073 -1.461 1.00 1.01 H new ATOM 441 N GLN A 31 -7.843 8.762 -3.743 1.00 0.49 N ATOM 442 CA GLN A 31 -9.225 9.191 -3.804 1.00 0.52 C ATOM 443 C GLN A 31 -10.097 8.061 -4.333 1.00 0.49 C ATOM 444 O GLN A 31 -9.736 7.384 -5.296 1.00 0.54 O ATOM 445 CB GLN A 31 -9.340 10.433 -4.688 1.00 0.62 C ATOM 446 CG GLN A 31 -10.765 10.898 -4.941 1.00 1.15 C ATOM 447 CD GLN A 31 -10.819 12.182 -5.748 1.00 1.59 C ATOM 448 OE1 GLN A 31 -11.762 12.963 -5.631 1.00 2.48 O ATOM 449 NE2 GLN A 31 -9.803 12.417 -6.565 1.00 1.86 N ATOM 0 H GLN A 31 -7.411 8.625 -4.657 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.572 9.447 -2.803 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.783 11.247 -4.223 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -8.863 10.227 -5.646 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.311 10.117 -5.469 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -11.270 11.050 -3.987 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -9.039 11.745 -6.635 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -9.785 13.270 -7.124 1.00 1.86 H new ATOM 458 N ALA A 32 -11.227 7.847 -3.684 1.00 0.53 N ATOM 459 CA ALA A 32 -12.144 6.785 -4.072 1.00 0.54 C ATOM 460 C ALA A 32 -13.354 7.360 -4.790 1.00 0.56 C ATOM 461 O ALA A 32 -14.044 8.230 -4.257 1.00 0.70 O ATOM 462 CB ALA A 32 -12.578 5.998 -2.847 1.00 0.61 C ATOM 0 H ALA A 32 -11.535 8.396 -2.882 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.628 6.112 -4.757 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.264 5.206 -3.148 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.703 5.558 -2.368 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -13.079 6.665 -2.145 1.00 0.61 H new ATOM 468 N LEU A 33 -13.598 6.883 -6.001 1.00 0.54 N ATOM 469 CA LEU A 33 -14.706 7.375 -6.805 1.00 0.64 C ATOM 470 C LEU A 33 -15.770 6.296 -6.983 1.00 0.75 C ATOM 471 O LEU A 33 -15.480 5.197 -7.464 1.00 0.84 O ATOM 472 CB LEU A 33 -14.196 7.840 -8.171 1.00 0.74 C ATOM 473 CG LEU A 33 -13.122 8.933 -8.131 1.00 1.28 C ATOM 474 CD1 LEU A 33 -12.661 9.271 -9.536 1.00 1.90 C ATOM 475 CD2 LEU A 33 -13.645 10.179 -7.434 1.00 1.94 C ATOM 0 H LEU A 33 -13.042 6.154 -6.449 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.159 8.219 -6.285 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.794 6.978 -8.703 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -15.043 8.207 -8.751 1.00 0.74 H new ATOM 0 HG LEU A 33 -12.271 8.555 -7.564 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -11.898 10.049 -9.492 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -12.244 8.380 -10.006 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -13.509 9.627 -10.121 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -12.866 10.941 -7.418 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.513 10.560 -7.972 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -13.932 9.931 -6.412 1.00 1.94 H new ATOM 487 N GLY A 34 -16.995 6.612 -6.578 1.00 0.85 N ATOM 488 CA GLY A 34 -18.093 5.679 -6.733 1.00 1.06 C ATOM 489 C GLY A 34 -18.361 4.907 -5.463 1.00 0.98 C ATOM 490 O GLY A 34 -18.854 3.776 -5.495 1.00 1.81 O ATOM 0 H GLY A 34 -17.247 7.500 -6.144 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -18.992 6.222 -7.024 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -17.866 4.982 -7.540 1.00 1.06 H new ATOM 494 N CYS A 35 -18.053 5.525 -4.336 1.00 0.96 N ATOM 495 CA CYS A 35 -18.179 4.869 -3.052 1.00 0.86 C ATOM 496 C CYS A 35 -19.137 5.625 -2.145 1.00 0.96 C ATOM 497 O CYS A 35 -18.750 6.581 -1.474 1.00 1.88 O ATOM 498 CB CYS A 35 -16.814 4.772 -2.375 1.00 0.84 C ATOM 499 SG CYS A 35 -15.485 4.150 -3.447 1.00 1.18 S ATOM 0 H CYS A 35 -17.712 6.485 -4.287 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.575 3.868 -3.224 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.534 5.759 -2.006 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.899 4.119 -1.506 1.00 0.84 H new ATOM 504 N ASN A 36 -20.390 5.212 -2.141 1.00 0.79 N ATOM 505 CA ASN A 36 -21.367 5.781 -1.225 1.00 0.72 C ATOM 506 C ASN A 36 -21.526 4.863 -0.023 1.00 0.69 C ATOM 507 O ASN A 36 -22.011 5.276 1.031 1.00 0.80 O ATOM 508 CB ASN A 36 -22.721 5.981 -1.914 1.00 0.76 C ATOM 509 CG ASN A 36 -22.637 6.877 -3.136 1.00 1.29 C ATOM 510 OD1 ASN A 36 -22.423 6.401 -4.253 1.00 1.75 O ATOM 511 ND2 ASN A 36 -22.802 8.173 -2.941 1.00 2.14 N ATOM 0 H ASN A 36 -20.757 4.488 -2.758 1.00 0.79 H new ATOM 0 HA ASN A 36 -21.009 6.757 -0.899 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -23.120 5.010 -2.209 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.425 6.412 -1.202 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -22.754 8.818 -3.730 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -22.977 8.529 -2.001 1.00 2.14 H new ATOM 518 N ALA A 37 -21.113 3.607 -0.194 1.00 0.65 N ATOM 519 CA ALA A 37 -21.140 2.626 0.884 1.00 0.74 C ATOM 520 C ALA A 37 -20.346 1.378 0.512 1.00 0.70 C ATOM 521 O ALA A 37 -20.923 0.338 0.210 1.00 0.94 O ATOM 522 CB ALA A 37 -22.574 2.250 1.241 1.00 0.93 C ATOM 0 H ALA A 37 -20.753 3.246 -1.078 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.673 3.082 1.757 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.568 1.517 2.048 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.114 3.140 1.564 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -23.067 1.824 0.367 1.00 0.93 H new ATOM 528 N ARG A 38 -19.019 1.496 0.490 1.00 0.59 N ATOM 529 CA ARG A 38 -18.161 0.348 0.225 1.00 0.61 C ATOM 530 C ARG A 38 -16.803 0.536 0.894 1.00 0.50 C ATOM 531 O ARG A 38 -16.320 1.667 1.019 1.00 0.50 O ATOM 532 CB ARG A 38 -17.966 0.187 -1.281 1.00 0.71 C ATOM 533 CG ARG A 38 -17.773 -1.254 -1.719 1.00 0.98 C ATOM 534 CD ARG A 38 -19.001 -2.086 -1.390 1.00 2.02 C ATOM 535 NE ARG A 38 -18.872 -3.470 -1.837 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.224 -4.518 -1.095 1.00 3.70 C ATOM 537 NH1 ARG A 38 -19.665 -4.333 0.142 1.00 4.05 N ATOM 538 NH2 ARG A 38 -19.139 -5.749 -1.588 1.00 4.64 N ATOM 0 H ARG A 38 -18.520 2.371 0.652 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.637 -0.545 0.631 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.832 0.602 -1.797 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.100 0.771 -1.591 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -17.580 -1.290 -2.791 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.899 -1.676 -1.223 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -19.170 -2.069 -0.313 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -19.877 -1.636 -1.857 1.00 2.02 H new ATOM 0 HE ARG A 38 -18.492 -3.643 -2.768 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -19.734 -3.389 0.523 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -19.935 -5.134 0.712 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -18.803 -5.895 -2.540 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -19.410 -6.548 -1.015 1.00 4.64 H new ATOM 552 N GLN A 39 -16.194 -0.556 1.338 1.00 0.48 N ATOM 553 CA GLN A 39 -14.851 -0.496 1.887 1.00 0.42 C ATOM 554 C GLN A 39 -13.841 -0.426 0.748 1.00 0.42 C ATOM 555 O GLN A 39 -13.917 -1.199 -0.206 1.00 0.62 O ATOM 556 CB GLN A 39 -14.533 -1.712 2.771 1.00 0.47 C ATOM 557 CG GLN A 39 -15.594 -2.024 3.816 1.00 0.64 C ATOM 558 CD GLN A 39 -16.695 -2.919 3.282 1.00 0.87 C ATOM 559 OE1 GLN A 39 -17.696 -2.445 2.749 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.515 -4.219 3.425 1.00 1.40 N ATOM 0 H GLN A 39 -16.608 -1.488 1.328 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.788 0.396 2.511 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.401 -2.586 2.133 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.582 -1.540 3.276 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.123 -2.506 4.673 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.031 -1.092 4.174 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -15.669 -4.570 3.874 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -17.222 -4.872 3.087 1.00 1.40 H new ATOM 569 N VAL A 40 -12.912 0.508 0.846 1.00 0.36 N ATOM 570 CA VAL A 40 -11.867 0.659 -0.156 1.00 0.38 C ATOM 571 C VAL A 40 -10.574 0.078 0.381 1.00 0.35 C ATOM 572 O VAL A 40 -10.086 0.522 1.417 1.00 0.41 O ATOM 573 CB VAL A 40 -11.652 2.140 -0.535 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.490 2.293 -1.507 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.918 2.726 -1.130 1.00 0.54 C ATOM 0 H VAL A 40 -12.858 1.178 1.613 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.176 0.126 -1.055 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.408 2.688 0.375 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.361 3.346 -1.757 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.578 1.915 -1.046 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.698 1.727 -2.415 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.748 3.770 -1.391 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.191 2.168 -2.026 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.726 2.661 -0.402 1.00 0.54 H new ATOM 585 N ALA A 41 -10.035 -0.914 -0.310 1.00 0.29 N ATOM 586 CA ALA A 41 -8.864 -1.612 0.164 1.00 0.28 C ATOM 587 C ALA A 41 -7.672 -1.375 -0.743 1.00 0.26 C ATOM 588 O ALA A 41 -7.807 -1.302 -1.966 1.00 0.35 O ATOM 589 CB ALA A 41 -9.151 -3.100 0.279 1.00 0.36 C ATOM 0 H ALA A 41 -10.396 -1.250 -1.203 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.616 -1.219 1.150 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.260 -3.616 0.637 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.970 -3.259 0.981 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.429 -3.493 -0.699 1.00 0.36 H new ATOM 595 N LEU A 42 -6.506 -1.270 -0.139 1.00 0.27 N ATOM 596 CA LEU A 42 -5.275 -1.129 -0.887 1.00 0.31 C ATOM 597 C LEU A 42 -4.536 -2.452 -0.912 1.00 0.31 C ATOM 598 O LEU A 42 -4.121 -2.969 0.123 1.00 0.48 O ATOM 599 CB LEU A 42 -4.390 -0.047 -0.270 1.00 0.39 C ATOM 600 CG LEU A 42 -5.050 1.323 -0.121 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.096 2.306 0.532 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.506 1.849 -1.473 1.00 0.84 C ATOM 0 H LEU A 42 -6.386 -1.280 0.874 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.519 -0.833 -1.907 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -4.063 -0.384 0.713 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.496 0.063 -0.883 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.925 1.211 0.519 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.584 3.276 0.630 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.816 1.940 1.520 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.202 2.409 -0.084 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.973 2.825 -1.345 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.646 1.943 -2.136 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.226 1.157 -1.909 1.00 0.84 H new ATOM 614 N LYS A 43 -4.417 -3.011 -2.098 1.00 0.34 N ATOM 615 CA LYS A 43 -3.725 -4.272 -2.291 1.00 0.37 C ATOM 616 C LYS A 43 -2.453 -4.024 -3.071 1.00 0.38 C ATOM 617 O LYS A 43 -2.368 -3.059 -3.824 1.00 0.53 O ATOM 618 CB LYS A 43 -4.589 -5.275 -3.069 1.00 0.42 C ATOM 619 CG LYS A 43 -5.603 -6.056 -2.236 1.00 0.49 C ATOM 620 CD LYS A 43 -6.680 -5.173 -1.629 1.00 1.00 C ATOM 621 CE LYS A 43 -7.338 -4.269 -2.661 1.00 1.29 C ATOM 622 NZ LYS A 43 -7.902 -5.017 -3.817 1.00 1.93 N ATOM 0 H LYS A 43 -4.796 -2.607 -2.955 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.506 -4.691 -1.309 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.125 -4.736 -3.850 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -3.930 -5.986 -3.567 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.073 -6.814 -2.863 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.080 -6.583 -1.438 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -7.440 -5.800 -1.162 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.243 -4.561 -0.840 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.134 -3.699 -2.181 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -6.605 -3.549 -3.025 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -7.323 -4.838 -4.662 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -7.900 -6.035 -3.606 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -8.877 -4.702 -3.992 1.00 1.93 H new ATOM 636 N ALA A 44 -1.464 -4.864 -2.876 1.00 0.36 N ATOM 637 CA ALA A 44 -0.288 -4.828 -3.719 1.00 0.37 C ATOM 638 C ALA A 44 -0.471 -5.792 -4.877 1.00 0.34 C ATOM 639 O ALA A 44 -1.239 -6.750 -4.774 1.00 0.36 O ATOM 640 CB ALA A 44 0.958 -5.176 -2.924 1.00 0.41 C ATOM 0 H ALA A 44 -1.448 -5.577 -2.147 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.160 -3.818 -4.109 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.829 -5.142 -3.579 1.00 0.41 H new ATOM 0 HB2 ALA A 44 1.085 -4.458 -2.114 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.856 -6.178 -2.508 1.00 0.41 H new ATOM 646 N ASP A 45 0.207 -5.534 -5.979 1.00 0.36 N ATOM 647 CA ASP A 45 0.163 -6.447 -7.108 1.00 0.39 C ATOM 648 C ASP A 45 1.032 -7.652 -6.779 1.00 0.37 C ATOM 649 O ASP A 45 1.905 -7.553 -5.922 1.00 0.35 O ATOM 650 CB ASP A 45 0.635 -5.752 -8.387 1.00 0.45 C ATOM 651 CG ASP A 45 0.273 -6.539 -9.632 1.00 0.57 C ATOM 652 OD1 ASP A 45 -0.931 -6.618 -9.962 1.00 0.71 O ATOM 653 OD2 ASP A 45 1.183 -7.091 -10.276 1.00 0.64 O ATOM 0 H ASP A 45 0.790 -4.708 -6.118 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.861 -6.774 -7.285 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.190 -4.759 -8.445 1.00 0.45 H new ATOM 0 HB3 ASP A 45 1.716 -5.615 -8.347 1.00 0.45 H new ATOM 658 N THR A 46 0.812 -8.773 -7.453 1.00 0.47 N ATOM 659 CA THR A 46 1.410 -10.040 -7.062 1.00 0.55 C ATOM 660 C THR A 46 2.943 -10.008 -7.008 1.00 0.47 C ATOM 661 O THR A 46 3.558 -10.838 -6.339 1.00 0.56 O ATOM 662 CB THR A 46 0.939 -11.149 -8.001 1.00 0.76 C ATOM 663 OG1 THR A 46 0.723 -10.613 -9.315 1.00 1.40 O ATOM 664 CG2 THR A 46 -0.341 -11.792 -7.485 1.00 0.99 C ATOM 0 H THR A 46 0.218 -8.829 -8.280 1.00 0.47 H new ATOM 0 HA THR A 46 1.074 -10.239 -6.044 1.00 0.55 H new ATOM 0 HB THR A 46 1.712 -11.916 -8.044 1.00 0.76 H new ATOM 0 HG1 THR A 46 0.423 -11.328 -9.915 1.00 1.40 H new ATOM 0 HG21 THR A 46 -0.655 -12.578 -8.171 1.00 0.99 H new ATOM 0 HG22 THR A 46 -0.161 -12.221 -6.499 1.00 0.99 H new ATOM 0 HG23 THR A 46 -1.124 -11.037 -7.414 1.00 0.99 H new ATOM 672 N ASP A 47 3.556 -9.048 -7.693 1.00 0.42 N ATOM 673 CA ASP A 47 5.009 -8.873 -7.635 1.00 0.50 C ATOM 674 C ASP A 47 5.446 -8.393 -6.250 1.00 0.43 C ATOM 675 O ASP A 47 6.521 -8.744 -5.768 1.00 0.47 O ATOM 676 CB ASP A 47 5.481 -7.866 -8.687 1.00 0.66 C ATOM 677 CG ASP A 47 5.361 -8.384 -10.107 1.00 1.42 C ATOM 678 OD1 ASP A 47 4.238 -8.395 -10.651 1.00 2.22 O ATOM 679 OD2 ASP A 47 6.394 -8.765 -10.693 1.00 1.72 O ATOM 0 H ASP A 47 3.074 -8.379 -8.294 1.00 0.42 H new ATOM 0 HA ASP A 47 5.462 -9.843 -7.838 1.00 0.50 H new ATOM 0 HB2 ASP A 47 4.898 -6.950 -8.591 1.00 0.66 H new ATOM 0 HB3 ASP A 47 6.521 -7.604 -8.489 1.00 0.66 H new ATOM 684 N ASN A 48 4.593 -7.605 -5.613 1.00 0.38 N ATOM 685 CA ASN A 48 4.897 -7.012 -4.317 1.00 0.39 C ATOM 686 C ASN A 48 3.941 -7.561 -3.255 1.00 0.37 C ATOM 687 O ASN A 48 3.840 -7.039 -2.147 1.00 0.42 O ATOM 688 CB ASN A 48 4.755 -5.485 -4.395 1.00 0.50 C ATOM 689 CG ASN A 48 5.269 -4.795 -3.153 1.00 0.65 C ATOM 690 OD1 ASN A 48 6.256 -5.223 -2.558 1.00 1.35 O ATOM 691 ND2 ASN A 48 4.588 -3.739 -2.738 1.00 1.19 N ATOM 0 H ASN A 48 3.673 -7.358 -5.978 1.00 0.38 H new ATOM 0 HA ASN A 48 5.921 -7.265 -4.044 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.300 -5.116 -5.264 1.00 0.50 H new ATOM 0 HB3 ASN A 48 3.706 -5.227 -4.543 1.00 0.50 H new ATOM 0 HD21 ASN A 48 4.877 -3.246 -1.893 1.00 1.19 H new ATOM 0 HD22 ASN A 48 3.775 -3.418 -3.263 1.00 1.19 H new ATOM 698 N PHE A 49 3.237 -8.621 -3.607 1.00 0.35 N ATOM 699 CA PHE A 49 2.217 -9.189 -2.737 1.00 0.36 C ATOM 700 C PHE A 49 2.430 -10.686 -2.617 1.00 0.38 C ATOM 701 O PHE A 49 2.098 -11.441 -3.532 1.00 0.39 O ATOM 702 CB PHE A 49 0.840 -8.885 -3.336 1.00 0.38 C ATOM 703 CG PHE A 49 -0.359 -9.224 -2.495 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.708 -8.450 -1.400 1.00 0.39 C ATOM 705 CD2 PHE A 49 -1.181 -10.285 -2.847 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.852 -8.727 -0.676 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.318 -10.573 -2.119 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.657 -9.790 -1.034 1.00 0.46 C ATOM 0 H PHE A 49 3.352 -9.110 -4.494 1.00 0.35 H new ATOM 0 HA PHE A 49 2.280 -8.752 -1.740 1.00 0.36 H new ATOM 0 HB2 PHE A 49 0.800 -7.821 -3.570 1.00 0.38 H new ATOM 0 HB3 PHE A 49 0.755 -9.423 -4.280 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.079 -7.621 -1.109 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.928 -10.894 -3.702 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -2.117 -8.111 0.171 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.941 -11.410 -2.398 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.550 -10.008 -0.467 1.00 0.46 H new ATOM 718 N GLU A 50 3.008 -11.111 -1.508 1.00 0.44 N ATOM 719 CA GLU A 50 3.242 -12.528 -1.281 1.00 0.52 C ATOM 720 C GLU A 50 2.192 -13.082 -0.340 1.00 0.52 C ATOM 721 O GLU A 50 2.244 -12.828 0.865 1.00 0.54 O ATOM 722 CB GLU A 50 4.642 -12.778 -0.710 1.00 0.65 C ATOM 723 CG GLU A 50 5.767 -12.373 -1.648 1.00 1.22 C ATOM 724 CD GLU A 50 7.121 -12.872 -1.189 1.00 1.82 C ATOM 725 OE1 GLU A 50 7.759 -12.186 -0.361 1.00 2.41 O ATOM 726 OE2 GLU A 50 7.558 -13.948 -1.650 1.00 2.15 O ATOM 0 H GLU A 50 3.323 -10.501 -0.754 1.00 0.44 H new ATOM 0 HA GLU A 50 3.174 -13.039 -2.241 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.746 -12.229 0.226 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.743 -13.837 -0.471 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.560 -12.762 -2.645 1.00 1.22 H new ATOM 0 HG3 GLU A 50 5.793 -11.286 -1.729 1.00 1.22 H new ATOM 733 N GLN A 51 1.224 -13.804 -0.912 1.00 0.63 N ATOM 734 CA GLN A 51 0.147 -14.454 -0.158 1.00 0.76 C ATOM 735 C GLN A 51 -0.843 -13.430 0.390 1.00 0.72 C ATOM 736 O GLN A 51 -2.041 -13.493 0.116 1.00 1.07 O ATOM 737 CB GLN A 51 0.715 -15.296 0.987 1.00 0.87 C ATOM 738 CG GLN A 51 1.739 -16.327 0.546 1.00 1.71 C ATOM 739 CD GLN A 51 2.497 -16.910 1.716 1.00 2.56 C ATOM 740 OE1 GLN A 51 1.963 -17.017 2.823 1.00 2.92 O ATOM 741 NE2 GLN A 51 3.749 -17.271 1.491 1.00 3.43 N ATOM 0 H GLN A 51 1.165 -13.955 -1.919 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.384 -15.110 -0.848 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.175 -14.632 1.719 1.00 0.87 H new ATOM 0 HB3 GLN A 51 -0.106 -15.806 1.491 1.00 0.87 H new ATOM 0 HG2 GLN A 51 1.236 -17.128 0.004 1.00 1.71 H new ATOM 0 HG3 GLN A 51 2.442 -15.866 -0.148 1.00 1.71 H new ATOM 0 HE21 GLN A 51 4.151 -17.165 0.559 1.00 3.43 H new ATOM 0 HE22 GLN A 51 4.313 -17.655 2.249 1.00 3.43 H new ATOM 750 N GLY A 52 -0.328 -12.489 1.158 1.00 0.56 N ATOM 751 CA GLY A 52 -1.156 -11.485 1.778 1.00 0.52 C ATOM 752 C GLY A 52 -0.325 -10.522 2.586 1.00 0.48 C ATOM 753 O GLY A 52 -0.715 -10.122 3.681 1.00 0.52 O ATOM 0 H GLY A 52 0.667 -12.403 1.365 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.708 -10.940 1.012 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.893 -11.964 2.422 1.00 0.52 H new ATOM 757 N LYS A 53 0.841 -10.177 2.053 1.00 0.47 N ATOM 758 CA LYS A 53 1.723 -9.202 2.669 1.00 0.47 C ATOM 759 C LYS A 53 2.285 -8.311 1.572 1.00 0.42 C ATOM 760 O LYS A 53 2.680 -8.811 0.517 1.00 0.41 O ATOM 761 CB LYS A 53 2.894 -9.883 3.396 1.00 0.53 C ATOM 762 CG LYS A 53 2.515 -11.027 4.332 1.00 1.01 C ATOM 763 CD LYS A 53 1.794 -10.539 5.578 1.00 0.65 C ATOM 764 CE LYS A 53 1.645 -11.649 6.607 1.00 1.27 C ATOM 765 NZ LYS A 53 0.766 -12.746 6.128 1.00 2.12 N ATOM 0 H LYS A 53 1.199 -10.567 1.181 1.00 0.47 H new ATOM 0 HA LYS A 53 1.154 -8.628 3.400 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.589 -10.265 2.648 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.428 -9.128 3.972 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.878 -11.733 3.799 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.415 -11.568 4.624 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.345 -9.707 6.016 1.00 0.65 H new ATOM 0 HD3 LYS A 53 0.809 -10.160 5.305 1.00 0.65 H new ATOM 0 HE2 LYS A 53 2.628 -12.053 6.848 1.00 1.27 H new ATOM 0 HE3 LYS A 53 1.236 -11.235 7.529 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 0.681 -13.471 6.869 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 -0.176 -12.365 5.907 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 1.177 -13.172 5.273 1.00 2.12 H new ATOM 779 N PHE A 54 2.299 -7.008 1.797 1.00 0.44 N ATOM 780 CA PHE A 54 2.934 -6.100 0.865 1.00 0.41 C ATOM 781 C PHE A 54 4.143 -5.425 1.492 1.00 0.39 C ATOM 782 O PHE A 54 4.200 -5.195 2.706 1.00 0.44 O ATOM 783 CB PHE A 54 1.951 -5.072 0.281 1.00 0.43 C ATOM 784 CG PHE A 54 1.001 -4.416 1.250 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.485 -3.907 2.446 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.354 -4.326 0.991 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.634 -3.315 3.361 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.209 -3.737 1.904 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.786 -3.183 2.986 1.00 0.51 C ATOM 0 H PHE A 54 1.880 -6.560 2.612 1.00 0.44 H new ATOM 0 HA PHE A 54 3.284 -6.702 0.026 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.529 -4.290 -0.211 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.362 -5.566 -0.492 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.540 -3.974 2.665 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.749 -4.720 0.066 1.00 0.41 H new ATOM 0 HE1 PHE A 54 0.996 -2.962 4.315 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.270 -3.742 1.702 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.465 -2.626 3.614 1.00 0.51 H new ATOM 799 N PHE A 55 5.115 -5.132 0.652 1.00 0.37 N ATOM 800 CA PHE A 55 6.410 -4.667 1.099 1.00 0.36 C ATOM 801 C PHE A 55 6.994 -3.673 0.113 1.00 0.42 C ATOM 802 O PHE A 55 6.293 -3.162 -0.755 1.00 0.55 O ATOM 803 CB PHE A 55 7.362 -5.863 1.278 1.00 0.36 C ATOM 804 CG PHE A 55 7.224 -6.964 0.260 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.121 -7.791 0.275 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.188 -7.160 -0.719 1.00 0.41 C ATOM 807 CE1 PHE A 55 5.980 -8.799 -0.661 1.00 0.59 C ATOM 808 CE2 PHE A 55 8.053 -8.164 -1.655 1.00 0.48 C ATOM 809 CZ PHE A 55 6.994 -9.002 -1.615 1.00 0.54 C ATOM 0 H PHE A 55 5.028 -5.210 -0.361 1.00 0.37 H new ATOM 0 HA PHE A 55 6.287 -4.163 2.057 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.388 -5.495 1.251 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.201 -6.287 2.269 1.00 0.36 H new ATOM 0 HD1 PHE A 55 5.358 -7.650 1.026 1.00 0.53 H new ATOM 0 HD2 PHE A 55 9.056 -6.518 -0.748 1.00 0.41 H new ATOM 0 HE1 PHE A 55 5.100 -9.425 -0.660 1.00 0.59 H new ATOM 0 HE2 PHE A 55 8.800 -8.281 -2.426 1.00 0.48 H new ATOM 0 HZ PHE A 55 6.926 -9.824 -2.312 1.00 0.54 H new ATOM 819 N LEU A 56 8.261 -3.349 0.296 1.00 0.37 N ATOM 820 CA LEU A 56 9.019 -2.623 -0.713 1.00 0.44 C ATOM 821 C LEU A 56 10.062 -3.577 -1.279 1.00 0.44 C ATOM 822 O LEU A 56 11.054 -3.881 -0.618 1.00 0.53 O ATOM 823 CB LEU A 56 9.691 -1.364 -0.124 1.00 0.53 C ATOM 824 CG LEU A 56 8.822 -0.099 0.004 1.00 0.81 C ATOM 825 CD1 LEU A 56 7.376 -0.427 0.304 1.00 1.53 C ATOM 826 CD2 LEU A 56 9.378 0.802 1.093 1.00 1.27 C ATOM 0 H LEU A 56 8.791 -3.577 1.137 1.00 0.37 H new ATOM 0 HA LEU A 56 8.348 -2.277 -1.499 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.070 -1.615 0.866 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.554 -1.120 -0.744 1.00 0.53 H new ATOM 0 HG LEU A 56 8.851 0.415 -0.957 1.00 0.81 H new ATOM 0 HD11 LEU A 56 6.803 0.497 0.385 1.00 1.53 H new ATOM 0 HD12 LEU A 56 6.967 -1.038 -0.500 1.00 1.53 H new ATOM 0 HD13 LEU A 56 7.315 -0.976 1.244 1.00 1.53 H new ATOM 0 HD21 LEU A 56 8.759 1.695 1.178 1.00 1.27 H new ATOM 0 HD22 LEU A 56 9.377 0.268 2.043 1.00 1.27 H new ATOM 0 HD23 LEU A 56 10.398 1.091 0.840 1.00 1.27 H new ATOM 838 N ILE A 57 9.819 -4.078 -2.482 1.00 0.42 N ATOM 839 CA ILE A 57 10.664 -5.120 -3.050 1.00 0.45 C ATOM 840 C ILE A 57 11.538 -4.583 -4.181 1.00 0.46 C ATOM 841 O ILE A 57 11.091 -3.804 -5.016 1.00 0.52 O ATOM 842 CB ILE A 57 9.815 -6.314 -3.567 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.714 -7.460 -4.049 1.00 0.57 C ATOM 844 CG2 ILE A 57 8.876 -5.880 -4.683 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.588 -8.051 -2.962 1.00 0.57 C ATOM 0 H ILE A 57 9.048 -3.782 -3.081 1.00 0.42 H new ATOM 0 HA ILE A 57 11.314 -5.470 -2.248 1.00 0.45 H new ATOM 0 HB ILE A 57 9.213 -6.672 -2.732 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.088 -8.248 -4.468 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.350 -7.096 -4.856 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.295 -6.737 -5.024 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.201 -5.109 -4.311 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.458 -5.482 -5.514 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.194 -8.855 -3.379 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.240 -7.277 -2.558 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.959 -8.447 -2.165 1.00 0.57 H new ATOM 857 N SER A 58 12.799 -4.983 -4.176 1.00 0.52 N ATOM 858 CA SER A 58 13.697 -4.711 -5.285 1.00 0.62 C ATOM 859 C SER A 58 13.284 -5.563 -6.478 1.00 0.72 C ATOM 860 O SER A 58 12.915 -6.725 -6.310 1.00 0.77 O ATOM 861 CB SER A 58 15.146 -5.014 -4.874 1.00 0.78 C ATOM 862 OG SER A 58 16.017 -5.033 -5.992 1.00 1.44 O ATOM 0 H SER A 58 13.226 -5.502 -3.409 1.00 0.52 H new ATOM 0 HA SER A 58 13.637 -3.658 -5.561 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.486 -4.263 -4.161 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.186 -5.977 -4.366 1.00 0.78 H new ATOM 0 HG SER A 58 16.930 -5.227 -5.692 1.00 1.44 H new ATOM 868 N ASP A 59 13.347 -4.994 -7.676 1.00 0.97 N ATOM 869 CA ASP A 59 12.915 -5.704 -8.880 1.00 1.18 C ATOM 870 C ASP A 59 13.809 -6.910 -9.158 1.00 1.20 C ATOM 871 O ASP A 59 13.445 -7.807 -9.920 1.00 1.34 O ATOM 872 CB ASP A 59 12.902 -4.768 -10.093 1.00 1.57 C ATOM 873 CG ASP A 59 14.278 -4.246 -10.445 1.00 1.80 C ATOM 874 OD1 ASP A 59 14.717 -3.260 -9.821 1.00 2.17 O ATOM 875 OD2 ASP A 59 14.926 -4.817 -11.347 1.00 2.31 O ATOM 0 H ASP A 59 13.691 -4.048 -7.842 1.00 0.97 H new ATOM 0 HA ASP A 59 11.900 -6.060 -8.705 1.00 1.18 H new ATOM 0 HB2 ASP A 59 12.489 -5.298 -10.951 1.00 1.57 H new ATOM 0 HB3 ASP A 59 12.240 -3.926 -9.890 1.00 1.57 H new ATOM 880 N ASN A 60 14.980 -6.929 -8.533 1.00 1.26 N ATOM 881 CA ASN A 60 15.907 -8.045 -8.667 1.00 1.52 C ATOM 882 C ASN A 60 15.598 -9.129 -7.636 1.00 1.40 C ATOM 883 O ASN A 60 16.056 -10.265 -7.763 1.00 1.74 O ATOM 884 CB ASN A 60 17.349 -7.545 -8.513 1.00 1.82 C ATOM 885 CG ASN A 60 18.371 -8.666 -8.479 1.00 2.52 C ATOM 886 OD1 ASN A 60 18.785 -9.110 -7.409 1.00 3.09 O ATOM 887 ND2 ASN A 60 18.766 -9.144 -9.647 1.00 3.05 N ATOM 0 H ASN A 60 15.311 -6.180 -7.925 1.00 1.26 H new ATOM 0 HA ASN A 60 15.791 -8.482 -9.659 1.00 1.52 H new ATOM 0 HB2 ASN A 60 17.584 -6.873 -9.339 1.00 1.82 H new ATOM 0 HB3 ASN A 60 17.428 -6.962 -7.595 1.00 1.82 H new ATOM 0 HD21 ASN A 60 19.439 -9.910 -9.683 1.00 3.05 H new ATOM 0 HD22 ASN A 60 18.398 -8.747 -10.511 1.00 3.05 H new ATOM 894 N ASN A 61 14.788 -8.769 -6.641 1.00 1.11 N ATOM 895 CA ASN A 61 14.450 -9.658 -5.528 1.00 1.06 C ATOM 896 C ASN A 61 15.704 -10.076 -4.762 1.00 1.11 C ATOM 897 O ASN A 61 16.394 -11.026 -5.131 1.00 1.55 O ATOM 898 CB ASN A 61 13.680 -10.894 -6.011 1.00 1.29 C ATOM 899 CG ASN A 61 13.238 -11.785 -4.864 1.00 1.85 C ATOM 900 OD1 ASN A 61 12.999 -11.314 -3.750 1.00 2.62 O ATOM 901 ND2 ASN A 61 13.122 -13.078 -5.128 1.00 2.37 N ATOM 0 H ASN A 61 14.347 -7.851 -6.583 1.00 1.11 H new ATOM 0 HA ASN A 61 13.802 -9.101 -4.851 1.00 1.06 H new ATOM 0 HB2 ASN A 61 12.805 -10.575 -6.578 1.00 1.29 H new ATOM 0 HB3 ASN A 61 14.309 -11.468 -6.692 1.00 1.29 H new ATOM 0 HD21 ASN A 61 12.825 -13.723 -4.396 1.00 2.37 H new ATOM 0 HD22 ASN A 61 13.329 -13.428 -6.063 1.00 2.37 H new ATOM 908 N ARG A 62 16.000 -9.341 -3.701 1.00 0.98 N ATOM 909 CA ARG A 62 17.182 -9.597 -2.887 1.00 1.06 C ATOM 910 C ARG A 62 16.957 -9.100 -1.466 1.00 0.90 C ATOM 911 O ARG A 62 17.214 -9.809 -0.495 1.00 1.01 O ATOM 912 CB ARG A 62 18.418 -8.928 -3.513 1.00 1.27 C ATOM 913 CG ARG A 62 18.213 -7.462 -3.876 1.00 1.79 C ATOM 914 CD ARG A 62 19.421 -6.879 -4.592 1.00 2.44 C ATOM 915 NE ARG A 62 20.592 -6.781 -3.721 1.00 3.13 N ATOM 916 CZ ARG A 62 21.845 -6.683 -4.167 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.091 -6.694 -5.471 1.00 3.55 N ATOM 918 NH2 ARG A 62 22.851 -6.568 -3.310 1.00 4.66 N ATOM 0 H ARG A 62 15.434 -8.556 -3.380 1.00 0.98 H new ATOM 0 HA ARG A 62 17.360 -10.672 -2.851 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.252 -9.006 -2.816 1.00 1.27 H new ATOM 0 HB3 ARG A 62 18.700 -9.478 -4.411 1.00 1.27 H new ATOM 0 HG2 ARG A 62 17.333 -7.365 -4.512 1.00 1.79 H new ATOM 0 HG3 ARG A 62 18.016 -6.888 -2.970 1.00 1.79 H new ATOM 0 HD2 ARG A 62 19.664 -7.500 -5.454 1.00 2.44 H new ATOM 0 HD3 ARG A 62 19.171 -5.889 -4.973 1.00 2.44 H new ATOM 0 HE ARG A 62 20.441 -6.788 -2.712 1.00 3.13 H new ATOM 0 HH11 ARG A 62 21.321 -6.778 -6.135 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.050 -6.619 -5.810 1.00 3.55 H new ATOM 0 HH21 ARG A 62 22.667 -6.554 -2.307 1.00 4.66 H new ATOM 0 HH22 ARG A 62 23.808 -6.493 -3.654 1.00 4.66 H new ATOM 932 N ASP A 63 16.438 -7.888 -1.362 1.00 0.81 N ATOM 933 CA ASP A 63 16.151 -7.270 -0.079 1.00 0.75 C ATOM 934 C ASP A 63 14.657 -7.017 0.041 1.00 0.61 C ATOM 935 O ASP A 63 14.011 -6.618 -0.934 1.00 0.69 O ATOM 936 CB ASP A 63 16.931 -5.958 0.043 1.00 0.92 C ATOM 937 CG ASP A 63 16.588 -5.153 1.284 1.00 1.70 C ATOM 938 OD1 ASP A 63 15.567 -4.431 1.264 1.00 2.51 O ATOM 939 OD2 ASP A 63 17.365 -5.199 2.257 1.00 2.02 O ATOM 0 H ASP A 63 16.204 -7.305 -2.165 1.00 0.81 H new ATOM 0 HA ASP A 63 16.458 -7.936 0.728 1.00 0.75 H new ATOM 0 HB2 ASP A 63 17.998 -6.180 0.049 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.737 -5.348 -0.839 1.00 0.92 H new ATOM 944 N LYS A 64 14.105 -7.277 1.213 1.00 0.51 N ATOM 945 CA LYS A 64 12.692 -7.046 1.439 1.00 0.48 C ATOM 946 C LYS A 64 12.459 -6.206 2.671 1.00 0.52 C ATOM 947 O LYS A 64 13.234 -6.214 3.627 1.00 0.86 O ATOM 948 CB LYS A 64 11.909 -8.336 1.648 1.00 0.57 C ATOM 949 CG LYS A 64 10.833 -8.614 0.629 1.00 0.65 C ATOM 950 CD LYS A 64 9.691 -9.357 1.298 1.00 0.84 C ATOM 951 CE LYS A 64 10.076 -10.782 1.643 1.00 1.52 C ATOM 952 NZ LYS A 64 10.251 -11.636 0.437 1.00 2.07 N ATOM 0 H LYS A 64 14.611 -7.646 2.018 1.00 0.51 H new ATOM 0 HA LYS A 64 12.346 -6.538 0.539 1.00 0.48 H new ATOM 0 HB2 LYS A 64 12.610 -9.170 1.647 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.450 -8.306 2.636 1.00 0.57 H new ATOM 0 HG2 LYS A 64 10.472 -7.679 0.199 1.00 0.65 H new ATOM 0 HG3 LYS A 64 11.237 -9.207 -0.192 1.00 0.65 H new ATOM 0 HD2 LYS A 64 9.396 -8.830 2.205 1.00 0.84 H new ATOM 0 HD3 LYS A 64 8.824 -9.364 0.637 1.00 0.84 H new ATOM 0 HE2 LYS A 64 11.003 -10.775 2.216 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.308 -11.217 2.283 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 10.396 -12.624 0.729 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 9.401 -11.573 -0.159 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 11.078 -11.309 -0.103 1.00 2.07 H new ATOM 966 N LEU A 65 11.348 -5.522 2.629 1.00 0.34 N ATOM 967 CA LEU A 65 10.792 -4.821 3.760 1.00 0.34 C ATOM 968 C LEU A 65 9.426 -5.400 4.002 1.00 0.38 C ATOM 969 O LEU A 65 9.044 -6.332 3.319 1.00 0.72 O ATOM 970 CB LEU A 65 10.639 -3.325 3.484 1.00 0.52 C ATOM 971 CG LEU A 65 11.932 -2.526 3.323 1.00 1.18 C ATOM 972 CD1 LEU A 65 12.626 -2.843 2.009 1.00 1.98 C ATOM 973 CD2 LEU A 65 11.646 -1.038 3.433 1.00 1.96 C ATOM 0 H LEU A 65 10.786 -5.433 1.782 1.00 0.34 H new ATOM 0 HA LEU A 65 11.456 -4.935 4.617 1.00 0.34 H new ATOM 0 HB2 LEU A 65 10.048 -3.204 2.576 1.00 0.52 H new ATOM 0 HB3 LEU A 65 10.065 -2.885 4.299 1.00 0.52 H new ATOM 0 HG LEU A 65 12.608 -2.816 4.127 1.00 1.18 H new ATOM 0 HD11 LEU A 65 13.541 -2.256 1.930 1.00 1.98 H new ATOM 0 HD12 LEU A 65 12.871 -3.904 1.974 1.00 1.98 H new ATOM 0 HD13 LEU A 65 11.964 -2.596 1.179 1.00 1.98 H new ATOM 0 HD21 LEU A 65 12.575 -0.479 3.317 1.00 1.96 H new ATOM 0 HD22 LEU A 65 10.945 -0.743 2.652 1.00 1.96 H new ATOM 0 HD23 LEU A 65 11.213 -0.822 4.410 1.00 1.96 H new ATOM 985 N TYR A 66 8.766 -4.971 5.045 1.00 0.32 N ATOM 986 CA TYR A 66 7.320 -4.965 5.033 1.00 0.34 C ATOM 987 C TYR A 66 6.840 -3.572 5.387 1.00 0.36 C ATOM 988 O TYR A 66 7.484 -2.871 6.167 1.00 0.44 O ATOM 989 CB TYR A 66 6.726 -5.989 5.978 1.00 0.39 C ATOM 990 CG TYR A 66 6.972 -7.425 5.575 1.00 0.41 C ATOM 991 CD1 TYR A 66 6.623 -7.862 4.312 1.00 0.50 C ATOM 992 CD2 TYR A 66 7.600 -8.325 6.435 1.00 0.55 C ATOM 993 CE1 TYR A 66 6.876 -9.158 3.907 1.00 0.59 C ATOM 994 CE2 TYR A 66 7.870 -9.619 6.033 1.00 0.64 C ATOM 995 CZ TYR A 66 7.346 -10.095 4.899 1.00 0.62 C ATOM 996 OH TYR A 66 7.780 -11.318 4.357 1.00 0.75 O ATOM 0 H TYR A 66 9.195 -4.625 5.904 1.00 0.32 H new ATOM 0 HA TYR A 66 6.984 -5.241 4.033 1.00 0.34 H new ATOM 0 HB2 TYR A 66 7.138 -5.828 6.974 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.651 -5.822 6.046 1.00 0.39 H new ATOM 0 HD1 TYR A 66 6.143 -7.177 3.628 1.00 0.50 H new ATOM 0 HD2 TYR A 66 7.879 -8.006 7.428 1.00 0.55 H new ATOM 0 HE1 TYR A 66 6.727 -9.460 2.881 1.00 0.59 H new ATOM 0 HE2 TYR A 66 8.507 -10.248 6.637 1.00 0.64 H new ATOM 0 HH TYR A 66 8.086 -11.906 5.079 1.00 0.75 H new ATOM 1006 N VAL A 67 5.740 -3.153 4.788 1.00 0.35 N ATOM 1007 CA VAL A 67 5.232 -1.804 4.990 1.00 0.38 C ATOM 1008 C VAL A 67 3.742 -1.822 5.242 1.00 0.40 C ATOM 1009 O VAL A 67 3.062 -2.799 4.934 1.00 0.73 O ATOM 1010 CB VAL A 67 5.527 -0.895 3.782 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.026 -0.702 3.623 1.00 0.67 C ATOM 1012 CG2 VAL A 67 4.909 -1.463 2.509 1.00 0.60 C ATOM 0 H VAL A 67 5.180 -3.726 4.157 1.00 0.35 H new ATOM 0 HA VAL A 67 5.746 -1.402 5.863 1.00 0.38 H new ATOM 0 HB VAL A 67 5.073 0.079 3.963 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.221 -0.058 2.766 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.431 -0.240 4.524 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.503 -1.669 3.466 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.132 -0.803 1.671 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.324 -2.452 2.313 1.00 0.60 H new ATOM 0 HG23 VAL A 67 3.829 -1.541 2.632 1.00 0.60 H new ATOM 1022 N ASN A 68 3.247 -0.755 5.828 1.00 0.42 N ATOM 1023 CA ASN A 68 1.822 -0.580 5.996 1.00 0.49 C ATOM 1024 C ASN A 68 1.394 0.757 5.415 1.00 0.43 C ATOM 1025 O ASN A 68 1.784 1.819 5.900 1.00 0.50 O ATOM 1026 CB ASN A 68 1.396 -0.703 7.471 1.00 0.74 C ATOM 1027 CG ASN A 68 2.147 0.223 8.420 1.00 0.99 C ATOM 1028 OD1 ASN A 68 3.327 0.511 8.237 1.00 1.81 O ATOM 1029 ND2 ASN A 68 1.460 0.694 9.450 1.00 1.60 N ATOM 0 H ASN A 68 3.814 0.008 6.198 1.00 0.42 H new ATOM 0 HA ASN A 68 1.318 -1.381 5.455 1.00 0.49 H new ATOM 0 HB2 ASN A 68 0.329 -0.494 7.547 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.543 -1.733 7.795 1.00 0.74 H new ATOM 0 HD21 ASN A 68 1.910 1.316 10.121 1.00 1.60 H new ATOM 0 HD22 ASN A 68 0.481 0.434 9.572 1.00 1.60 H new ATOM 1036 N ILE A 69 0.634 0.694 4.331 1.00 0.42 N ATOM 1037 CA ILE A 69 0.046 1.886 3.747 1.00 0.41 C ATOM 1038 C ILE A 69 -1.082 2.365 4.634 1.00 0.41 C ATOM 1039 O ILE A 69 -2.180 1.820 4.606 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.486 1.648 2.315 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.521 0.151 1.989 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.363 2.404 1.306 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -1.013 -0.163 0.592 1.00 0.74 C ATOM 0 H ILE A 69 0.411 -0.172 3.839 1.00 0.42 H new ATOM 0 HA ILE A 69 0.830 2.640 3.676 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.507 2.026 2.257 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.481 -0.261 2.112 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -1.163 -0.353 2.711 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.022 2.228 0.302 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.327 3.471 1.527 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.394 2.056 1.365 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -1.008 -1.242 0.439 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -2.027 0.217 0.470 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.358 0.310 -0.139 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.802 3.385 5.417 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.717 3.812 6.458 1.00 0.45 C ATOM 1057 C ARG A 70 -2.106 5.265 6.251 1.00 0.39 C ATOM 1058 O ARG A 70 -1.272 6.079 5.851 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.065 3.637 7.834 1.00 0.55 C ATOM 1060 CG ARG A 70 -2.039 3.761 8.992 1.00 1.33 C ATOM 1061 CD ARG A 70 -1.335 3.665 10.336 1.00 1.39 C ATOM 1062 NE ARG A 70 -0.586 4.878 10.656 1.00 2.23 N ATOM 1063 CZ ARG A 70 0.193 5.008 11.732 1.00 2.69 C ATOM 1064 NH1 ARG A 70 0.387 3.977 12.548 1.00 2.42 N ATOM 1065 NH2 ARG A 70 0.784 6.168 11.991 1.00 3.79 N ATOM 0 H ARG A 70 0.054 3.936 5.353 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.615 3.196 6.409 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.586 2.659 7.877 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -0.279 4.383 7.951 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -2.564 4.714 8.924 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -2.792 2.976 8.919 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -2.072 3.479 11.117 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -0.656 2.812 10.328 1.00 1.39 H new ATOM 0 HE ARG A 70 -0.663 5.672 10.020 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -0.060 3.081 12.353 1.00 2.42 H new ATOM 0 HH12 ARG A 70 0.983 4.082 13.369 1.00 2.42 H new ATOM 0 HH21 ARG A 70 0.643 6.963 11.367 1.00 3.79 H new ATOM 0 HH22 ARG A 70 1.379 6.265 12.814 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.388 5.601 6.477 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.856 6.984 6.455 1.00 0.44 C ATOM 1081 C PRO A 71 -2.936 7.905 7.246 1.00 0.47 C ATOM 1082 O PRO A 71 -2.709 7.686 8.438 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.221 6.893 7.124 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.710 5.532 6.778 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.489 4.653 6.749 1.00 0.50 C ATOM 0 HA PRO A 71 -3.885 7.400 5.448 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.145 7.026 8.203 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.897 7.664 6.755 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.430 5.176 7.515 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.215 5.532 5.812 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.346 4.133 7.696 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.562 3.890 5.974 1.00 0.50 H new ATOM 1093 N MET A 72 -2.420 8.928 6.573 1.00 0.52 N ATOM 1094 CA MET A 72 -1.427 9.827 7.156 1.00 0.65 C ATOM 1095 C MET A 72 -1.899 10.401 8.490 1.00 0.81 C ATOM 1096 O MET A 72 -1.201 10.299 9.498 1.00 1.66 O ATOM 1097 CB MET A 72 -1.110 10.957 6.179 1.00 0.75 C ATOM 1098 CG MET A 72 0.023 11.862 6.637 1.00 0.89 C ATOM 1099 SD MET A 72 0.412 13.148 5.433 1.00 1.54 S ATOM 1100 CE MET A 72 -1.145 14.030 5.361 1.00 1.71 C ATOM 0 H MET A 72 -2.676 9.158 5.613 1.00 0.52 H new ATOM 0 HA MET A 72 -0.523 9.248 7.347 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.851 10.527 5.212 1.00 0.75 H new ATOM 0 HB3 MET A 72 -2.006 11.559 6.030 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.248 12.327 7.585 1.00 0.89 H new ATOM 0 HG3 MET A 72 0.913 11.260 6.820 1.00 0.89 H new ATOM 0 HE1 MET A 72 -0.954 15.099 5.270 1.00 1.71 H new ATOM 0 HE2 MET A 72 -1.717 13.689 4.498 1.00 1.71 H new ATOM 0 HE3 MET A 72 -1.714 13.839 6.271 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.079 11.008 8.492 1.00 0.85 N ATOM 1111 CA ASP A 73 -3.643 11.568 9.717 1.00 0.91 C ATOM 1112 C ASP A 73 -5.160 11.659 9.613 1.00 0.97 C ATOM 1113 O ASP A 73 -5.811 12.323 10.419 1.00 1.54 O ATOM 1114 CB ASP A 73 -3.063 12.961 9.977 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.699 14.036 9.112 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.652 13.923 7.868 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -4.262 14.998 9.677 1.00 1.92 O ATOM 0 H ASP A 73 -3.663 11.126 7.664 1.00 0.85 H new ATOM 0 HA ASP A 73 -3.384 10.909 10.546 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -3.202 13.217 11.027 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -1.989 12.942 9.793 1.00 1.06 H new ATOM 1122 N ASN A 74 -5.718 10.965 8.633 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.133 11.110 8.310 1.00 0.90 C ATOM 1124 C ASN A 74 -8.014 10.293 9.255 1.00 1.03 C ATOM 1125 O ASN A 74 -8.542 10.823 10.230 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.399 10.706 6.857 1.00 0.90 C ATOM 1127 CG ASN A 74 -6.714 11.609 5.847 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -7.266 12.625 5.433 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -5.517 11.227 5.423 1.00 1.21 N ATOM 0 H ASN A 74 -5.216 10.297 8.048 1.00 0.80 H new ATOM 0 HA ASN A 74 -7.391 12.161 8.438 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -7.062 9.681 6.705 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.474 10.718 6.675 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -5.020 11.784 4.728 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -5.093 10.376 5.792 1.00 1.21 H new ATOM 1136 N SER A 75 -8.151 9.003 8.982 1.00 0.90 N ATOM 1137 CA SER A 75 -9.046 8.154 9.758 1.00 0.90 C ATOM 1138 C SER A 75 -8.377 6.822 10.073 1.00 0.84 C ATOM 1139 O SER A 75 -7.298 6.529 9.559 1.00 0.93 O ATOM 1140 CB SER A 75 -10.335 7.906 8.970 1.00 0.93 C ATOM 1141 OG SER A 75 -10.801 9.098 8.359 1.00 1.70 O ATOM 0 H SER A 75 -7.656 8.522 8.231 1.00 0.90 H new ATOM 0 HA SER A 75 -9.281 8.660 10.694 1.00 0.90 H new ATOM 0 HB2 SER A 75 -10.157 7.149 8.207 1.00 0.93 H new ATOM 0 HB3 SER A 75 -11.102 7.513 9.637 1.00 0.93 H new ATOM 0 HG SER A 75 -11.624 8.910 7.861 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.025 6.022 10.906 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.513 4.707 11.251 1.00 0.78 C ATOM 1149 C ALA A 76 -9.015 3.652 10.266 1.00 0.63 C ATOM 1150 O ALA A 76 -10.221 3.486 10.074 1.00 0.77 O ATOM 1151 CB ALA A 76 -8.911 4.340 12.674 1.00 0.94 C ATOM 0 H ALA A 76 -9.908 6.262 11.356 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.425 4.737 11.190 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.520 3.352 12.918 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.500 5.074 13.367 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -9.998 4.331 12.757 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.081 2.963 9.632 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.409 1.884 8.709 1.00 0.38 C ATOM 1159 C TRP A 77 -8.063 0.536 9.327 1.00 0.40 C ATOM 1160 O TRP A 77 -7.228 0.456 10.230 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.648 2.052 7.390 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.285 2.998 6.415 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -9.078 4.076 6.694 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.171 2.944 4.988 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.483 4.676 5.523 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.932 4.003 4.464 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.501 2.098 4.102 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -9.045 4.234 3.095 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.612 2.330 2.744 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.379 3.391 2.252 1.00 0.42 C ATOM 0 H TRP A 77 -7.081 3.132 9.740 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.480 1.924 8.508 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.640 2.403 7.610 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.549 1.075 6.916 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.347 4.408 7.686 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -10.094 5.490 5.455 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.906 1.276 4.472 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.639 5.051 2.713 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.098 1.681 2.051 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.446 3.547 1.185 1.00 0.42 H new ATOM 1181 N THR A 78 -8.710 -0.518 8.847 1.00 0.38 N ATOM 1182 CA THR A 78 -8.389 -1.866 9.269 1.00 0.40 C ATOM 1183 C THR A 78 -7.055 -2.270 8.660 1.00 0.36 C ATOM 1184 O THR A 78 -6.893 -2.256 7.437 1.00 0.37 O ATOM 1185 CB THR A 78 -9.489 -2.857 8.846 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.766 -2.365 9.271 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.243 -4.232 9.453 1.00 0.49 C ATOM 0 H THR A 78 -9.463 -0.460 8.162 1.00 0.38 H new ATOM 0 HA THR A 78 -8.323 -1.890 10.357 1.00 0.40 H new ATOM 0 HB THR A 78 -9.472 -2.951 7.760 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.466 -2.995 9.000 1.00 0.51 H new ATOM 0 HG21 THR A 78 -10.033 -4.915 9.140 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.279 -4.612 9.114 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.240 -4.155 10.540 1.00 0.49 H new ATOM 1195 N THR A 79 -6.100 -2.601 9.508 1.00 0.41 N ATOM 1196 CA THR A 79 -4.735 -2.766 9.059 1.00 0.40 C ATOM 1197 C THR A 79 -4.322 -4.230 8.933 1.00 0.38 C ATOM 1198 O THR A 79 -4.029 -4.913 9.919 1.00 0.50 O ATOM 1199 CB THR A 79 -3.760 -1.990 9.975 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.402 -2.211 9.576 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.939 -2.366 11.440 1.00 0.59 C ATOM 0 H THR A 79 -6.245 -2.760 10.505 1.00 0.41 H new ATOM 0 HA THR A 79 -4.683 -2.346 8.055 1.00 0.40 H new ATOM 0 HB THR A 79 -3.995 -0.931 9.868 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.245 -1.793 8.703 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.236 -1.799 12.050 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.958 -2.136 11.753 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.752 -3.432 11.567 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.327 -4.705 7.700 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.736 -5.986 7.356 1.00 0.32 C ATOM 1211 C ASP A 80 -2.494 -5.714 6.526 1.00 0.36 C ATOM 1212 O ASP A 80 -2.344 -4.620 5.984 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.718 -6.859 6.564 1.00 0.34 C ATOM 1214 CG ASP A 80 -5.906 -7.326 7.382 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -6.830 -6.525 7.613 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -5.926 -8.516 7.778 1.00 1.70 O ATOM 0 H ASP A 80 -4.741 -4.213 6.908 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.483 -6.529 8.267 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.078 -6.297 5.702 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.188 -7.730 6.178 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.595 -6.678 6.416 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.382 -6.448 5.646 1.00 0.57 C ATOM 1223 C ASN A 81 -0.624 -6.768 4.179 1.00 0.59 C ATOM 1224 O ASN A 81 0.225 -6.521 3.339 1.00 0.72 O ATOM 1225 CB ASN A 81 0.801 -7.271 6.188 1.00 0.68 C ATOM 1226 CG ASN A 81 2.161 -6.881 5.598 1.00 0.81 C ATOM 1227 OD1 ASN A 81 3.063 -7.710 5.518 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.342 -5.628 5.207 1.00 0.80 N ATOM 0 H ASN A 81 -1.676 -7.604 6.837 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.120 -5.394 5.743 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.842 -7.158 7.271 1.00 0.68 H new ATOM 0 HB3 ASN A 81 0.618 -8.326 5.984 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.244 -5.336 4.831 1.00 0.80 H new ATOM 0 HD22 ASN A 81 1.579 -4.955 5.282 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.786 -7.322 3.877 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.126 -7.612 2.502 1.00 0.65 C ATOM 1237 C GLY A 82 -3.212 -6.706 1.970 1.00 0.48 C ATOM 1238 O GLY A 82 -3.258 -6.406 0.776 1.00 0.57 O ATOM 0 H GLY A 82 -2.500 -7.576 4.560 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.236 -7.509 1.882 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.452 -8.649 2.423 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.092 -6.267 2.853 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.194 -5.404 2.465 1.00 0.44 C ATOM 1244 C VAL A 83 -5.342 -4.269 3.462 1.00 0.36 C ATOM 1245 O VAL A 83 -5.027 -4.424 4.640 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.533 -6.175 2.361 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.466 -7.239 1.275 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.902 -6.805 3.697 1.00 0.67 C ATOM 0 H VAL A 83 -4.064 -6.495 3.847 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.959 -5.007 1.477 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.309 -5.459 2.092 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.419 -7.766 1.223 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.259 -6.766 0.315 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.672 -7.948 1.509 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.846 -7.341 3.598 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.120 -7.501 3.999 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.005 -6.025 4.451 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.806 -3.129 2.990 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.979 -1.978 3.853 1.00 0.29 C ATOM 1260 C PHE A 84 -7.274 -1.279 3.498 1.00 0.29 C ATOM 1261 O PHE A 84 -7.385 -0.698 2.426 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.799 -1.019 3.700 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.238 -0.549 5.009 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.851 0.468 5.721 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -3.086 -1.122 5.524 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.325 0.906 6.922 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.557 -0.691 6.723 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.177 0.325 7.423 1.00 0.36 C ATOM 0 H PHE A 84 -6.069 -2.975 2.017 1.00 0.32 H new ATOM 0 HA PHE A 84 -6.019 -2.307 4.891 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -4.011 -1.513 3.132 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -5.117 -0.154 3.118 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.750 0.924 5.334 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.596 -1.916 4.980 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.811 1.701 7.467 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.659 -1.147 7.113 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.764 0.665 8.361 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.246 -1.348 4.385 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.570 -0.808 4.102 1.00 0.34 C ATOM 1280 C TYR A 85 -10.155 -0.182 5.350 1.00 0.34 C ATOM 1281 O TYR A 85 -9.853 -0.611 6.460 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.501 -1.905 3.566 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.682 -3.088 4.495 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.642 -3.980 4.728 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.890 -3.304 5.148 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.802 -5.056 5.584 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.057 -4.374 6.006 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.018 -5.273 6.186 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.180 -6.311 7.079 1.00 0.59 O ATOM 0 H TYR A 85 -8.149 -1.771 5.308 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.473 -0.039 3.335 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.478 -1.467 3.363 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -10.108 -2.264 2.615 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.694 -3.831 4.233 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.712 -2.624 4.982 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.974 -5.722 5.778 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -12.990 -4.509 6.532 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.103 -6.317 7.410 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.978 0.842 5.182 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.548 1.510 6.333 1.00 0.37 C ATOM 1301 C LYS A 86 -12.638 0.655 6.960 1.00 0.39 C ATOM 1302 O LYS A 86 -13.358 -0.060 6.265 1.00 0.42 O ATOM 1303 CB LYS A 86 -12.079 2.913 5.991 1.00 0.42 C ATOM 1304 CG LYS A 86 -13.415 2.968 5.261 1.00 0.57 C ATOM 1305 CD LYS A 86 -13.257 3.017 3.748 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.452 3.713 3.107 1.00 0.61 C ATOM 1307 NZ LYS A 86 -14.425 3.651 1.623 1.00 1.39 N ATOM 0 H LYS A 86 -11.260 1.220 4.277 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.746 1.644 7.059 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.172 3.479 6.918 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -11.334 3.422 5.380 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -14.008 2.095 5.532 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.970 3.846 5.593 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -12.340 3.546 3.490 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -13.164 2.005 3.354 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -15.372 3.253 3.469 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.472 4.756 3.422 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.037 4.396 1.233 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -13.451 3.792 1.287 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.769 2.721 1.308 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.725 0.730 8.281 1.00 0.45 N ATOM 1322 CA ASN A 87 -13.735 0.004 9.048 1.00 0.51 C ATOM 1323 C ASN A 87 -15.141 0.399 8.610 1.00 0.55 C ATOM 1324 O ASN A 87 -16.085 -0.386 8.705 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.539 0.291 10.543 1.00 0.61 C ATOM 1326 CG ASN A 87 -14.712 -0.147 11.403 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -14.786 -1.295 11.840 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -15.623 0.775 11.671 1.00 2.12 N ATOM 0 H ASN A 87 -12.098 1.295 8.854 1.00 0.45 H new ATOM 0 HA ASN A 87 -13.618 -1.064 8.865 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -12.637 -0.216 10.887 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.376 1.360 10.681 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -16.424 0.545 12.260 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -15.524 1.716 11.289 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.263 1.616 8.110 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.551 2.152 7.705 1.00 0.54 C ATOM 1337 C ASP A 88 -16.774 1.939 6.209 1.00 0.46 C ATOM 1338 O ASP A 88 -16.063 1.170 5.562 1.00 0.53 O ATOM 1339 CB ASP A 88 -16.617 3.646 8.034 1.00 0.62 C ATOM 1340 CG ASP A 88 -18.019 4.090 8.396 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -18.864 4.222 7.489 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -18.286 4.287 9.597 1.00 1.62 O ATOM 0 H ASP A 88 -14.480 2.256 7.974 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.335 1.627 8.251 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.943 3.864 8.863 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.265 4.221 7.177 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.764 2.623 5.673 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.081 2.562 4.258 1.00 0.51 C ATOM 1349 C VAL A 89 -18.144 3.977 3.691 1.00 0.51 C ATOM 1350 O VAL A 89 -17.732 4.930 4.346 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.419 1.829 3.993 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -19.317 0.362 4.383 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.569 2.505 4.731 1.00 0.93 C ATOM 0 H VAL A 89 -18.375 3.240 6.208 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.294 1.993 3.763 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.626 1.885 2.924 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -20.268 -0.133 4.188 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.532 -0.117 3.797 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -19.077 0.283 5.443 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.497 1.970 4.527 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.371 2.493 5.803 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.663 3.536 4.391 1.00 0.93 H new ATOM 1363 N GLY A 90 -18.628 4.106 2.469 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.715 5.407 1.845 1.00 0.46 C ATOM 1365 C GLY A 90 -17.424 5.792 1.163 1.00 0.39 C ATOM 1366 O GLY A 90 -16.641 4.925 0.764 1.00 0.43 O ATOM 0 H GLY A 90 -18.963 3.332 1.896 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.525 5.406 1.115 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.965 6.155 2.598 1.00 0.46 H new ATOM 1370 N SER A 91 -17.191 7.083 1.035 1.00 0.44 N ATOM 1371 CA SER A 91 -15.987 7.580 0.418 1.00 0.50 C ATOM 1372 C SER A 91 -14.897 7.699 1.474 1.00 0.48 C ATOM 1373 O SER A 91 -15.058 7.222 2.598 1.00 0.77 O ATOM 1374 CB SER A 91 -16.259 8.933 -0.247 1.00 0.69 C ATOM 1375 OG SER A 91 -17.235 8.809 -1.268 1.00 1.17 O ATOM 0 H SER A 91 -17.830 7.810 1.355 1.00 0.44 H new ATOM 0 HA SER A 91 -15.653 6.887 -0.355 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.599 9.649 0.502 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.335 9.328 -0.668 1.00 0.69 H new ATOM 0 HG SER A 91 -17.604 7.901 -1.260 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.784 8.299 1.104 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.691 8.521 2.031 1.00 0.45 C ATOM 1383 C TRP A 92 -11.682 9.474 1.410 1.00 0.44 C ATOM 1384 O TRP A 92 -11.307 10.464 2.030 1.00 0.49 O ATOM 1385 CB TRP A 92 -12.034 7.192 2.409 1.00 0.47 C ATOM 1386 CG TRP A 92 -11.061 7.350 3.519 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -11.321 7.286 4.854 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.677 7.637 3.387 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -10.170 7.508 5.563 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -9.145 7.728 4.680 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.835 7.821 2.295 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.809 7.997 4.907 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.514 8.091 2.519 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -7.003 8.178 3.820 1.00 0.51 C ATOM 0 H TRP A 92 -13.611 8.644 0.160 1.00 0.50 H new ATOM 0 HA TRP A 92 -13.078 8.972 2.945 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.803 6.477 2.700 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.527 6.777 1.538 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -12.290 7.090 5.289 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -10.089 7.509 6.580 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -9.218 7.752 1.288 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.415 8.062 5.911 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.853 8.240 1.678 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.954 8.392 3.966 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.295 9.147 0.172 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.348 9.942 -0.630 1.00 0.49 C ATOM 1407 C GLY A 93 -9.482 10.927 0.147 1.00 0.57 C ATOM 1408 O GLY A 93 -9.869 12.081 0.347 1.00 1.25 O ATOM 0 H GLY A 93 -11.632 8.314 -0.310 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.692 9.257 -1.168 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.913 10.497 -1.379 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.299 10.485 0.542 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.420 11.323 1.332 1.00 0.50 C ATOM 1414 C GLY A 94 -5.959 11.010 1.092 1.00 0.50 C ATOM 1415 O GLY A 94 -5.501 11.017 -0.048 1.00 0.72 O ATOM 0 H GLY A 94 -7.930 9.558 0.329 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.609 12.370 1.094 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.649 11.190 2.389 1.00 0.50 H new ATOM 1419 N THR A 95 -5.224 10.723 2.158 1.00 0.46 N ATOM 1420 CA THR A 95 -3.796 10.459 2.045 1.00 0.45 C ATOM 1421 C THR A 95 -3.383 9.188 2.788 1.00 0.40 C ATOM 1422 O THR A 95 -3.677 9.021 3.978 1.00 0.45 O ATOM 1423 CB THR A 95 -2.974 11.650 2.572 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.667 12.277 3.664 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.715 12.665 1.468 1.00 0.60 C ATOM 0 H THR A 95 -5.591 10.667 3.108 1.00 0.46 H new ATOM 0 HA THR A 95 -3.589 10.315 0.985 1.00 0.45 H new ATOM 0 HB THR A 95 -2.012 11.275 2.922 1.00 0.53 H new ATOM 0 HG1 THR A 95 -3.657 13.249 3.543 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.133 13.496 1.867 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.161 12.189 0.659 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.665 13.038 1.087 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.709 8.294 2.073 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.181 7.062 2.653 1.00 0.39 C ATOM 1435 C ILE A 96 -0.673 7.043 2.487 1.00 0.40 C ATOM 1436 O ILE A 96 -0.171 7.239 1.387 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.741 5.809 1.957 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -4.146 6.071 1.428 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -2.763 4.636 2.917 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -5.239 5.797 2.433 1.00 1.63 C ATOM 0 H ILE A 96 -2.513 8.401 1.078 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.475 7.044 3.702 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.090 5.567 1.117 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -4.214 7.110 1.106 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -4.313 5.452 0.546 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -3.162 3.758 2.409 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -1.750 4.428 3.260 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -3.393 4.878 3.773 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -6.209 6.007 1.982 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -5.199 4.751 2.738 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -5.099 6.435 3.306 1.00 1.63 H new ATOM 1452 N GLY A 97 0.043 6.795 3.556 1.00 0.39 N ATOM 1453 CA GLY A 97 1.480 6.853 3.496 1.00 0.45 C ATOM 1454 C GLY A 97 2.110 5.496 3.682 1.00 0.39 C ATOM 1455 O GLY A 97 1.525 4.622 4.317 1.00 0.37 O ATOM 0 H GLY A 97 -0.342 6.553 4.469 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.786 7.266 2.535 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.848 7.532 4.266 1.00 0.45 H new ATOM 1459 N ILE A 98 3.288 5.307 3.114 1.00 0.38 N ATOM 1460 CA ILE A 98 4.017 4.064 3.295 1.00 0.36 C ATOM 1461 C ILE A 98 4.924 4.168 4.513 1.00 0.38 C ATOM 1462 O ILE A 98 5.873 4.955 4.524 1.00 0.42 O ATOM 1463 CB ILE A 98 4.860 3.686 2.044 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.960 3.205 0.905 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.891 2.614 2.378 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.176 4.306 0.220 1.00 0.83 C ATOM 0 H ILE A 98 3.759 5.995 2.526 1.00 0.38 H new ATOM 0 HA ILE A 98 3.280 3.275 3.444 1.00 0.36 H new ATOM 0 HB ILE A 98 5.387 4.584 1.721 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.575 2.697 0.162 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.260 2.467 1.298 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.465 2.370 1.484 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.564 2.985 3.151 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.382 1.720 2.738 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.565 3.877 -0.574 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.532 4.800 0.947 1.00 0.83 H new ATOM 0 HD13 ILE A 98 3.867 5.033 -0.206 1.00 0.83 H new ATOM 1478 N TYR A 99 4.600 3.398 5.539 1.00 0.42 N ATOM 1479 CA TYR A 99 5.430 3.298 6.725 1.00 0.53 C ATOM 1480 C TYR A 99 6.117 1.940 6.712 1.00 0.44 C ATOM 1481 O TYR A 99 5.507 0.946 6.319 1.00 0.50 O ATOM 1482 CB TYR A 99 4.586 3.422 8.006 1.00 0.73 C ATOM 1483 CG TYR A 99 3.651 4.619 8.072 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.567 4.723 7.212 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.869 5.658 8.966 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.723 5.817 7.247 1.00 0.82 C ATOM 1487 CE2 TYR A 99 3.030 6.757 9.006 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.918 6.793 8.239 1.00 0.92 C ATOM 1489 OH TYR A 99 1.124 7.923 8.180 1.00 1.28 O ATOM 0 H TYR A 99 3.756 2.826 5.572 1.00 0.42 H new ATOM 0 HA TYR A 99 6.159 4.108 6.718 1.00 0.53 H new ATOM 0 HB2 TYR A 99 3.992 2.515 8.116 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.262 3.466 8.860 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.379 3.933 6.500 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.709 5.607 9.643 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.927 5.920 6.524 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.265 7.590 9.653 1.00 1.11 H new ATOM 0 HH TYR A 99 1.353 8.523 8.920 1.00 1.28 H new ATOM 1499 N VAL A 100 7.374 1.885 7.114 1.00 0.44 N ATOM 1500 CA VAL A 100 8.077 0.615 7.170 1.00 0.40 C ATOM 1501 C VAL A 100 7.771 -0.091 8.488 1.00 0.42 C ATOM 1502 O VAL A 100 7.743 0.529 9.548 1.00 0.56 O ATOM 1503 CB VAL A 100 9.605 0.781 7.000 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.233 1.440 8.216 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.258 -0.561 6.716 1.00 0.78 C ATOM 0 H VAL A 100 7.924 2.694 7.403 1.00 0.44 H new ATOM 0 HA VAL A 100 7.723 0.010 6.336 1.00 0.40 H new ATOM 0 HB VAL A 100 9.776 1.438 6.147 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.307 1.540 8.061 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.794 2.427 8.363 1.00 1.14 H new ATOM 0 HG13 VAL A 100 10.049 0.826 9.098 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.333 -0.425 6.599 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.066 -1.242 7.545 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.844 -0.980 5.799 1.00 0.78 H new ATOM 1515 N ASP A 101 7.516 -1.380 8.423 1.00 0.40 N ATOM 1516 CA ASP A 101 7.202 -2.145 9.620 1.00 0.50 C ATOM 1517 C ASP A 101 8.474 -2.493 10.385 1.00 0.59 C ATOM 1518 O ASP A 101 9.312 -3.258 9.900 1.00 0.77 O ATOM 1519 CB ASP A 101 6.446 -3.423 9.259 1.00 0.67 C ATOM 1520 CG ASP A 101 6.031 -4.207 10.489 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.950 -3.920 11.045 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.785 -5.116 10.903 1.00 1.02 O ATOM 0 H ASP A 101 7.519 -1.923 7.559 1.00 0.40 H new ATOM 0 HA ASP A 101 6.567 -1.529 10.257 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.561 -3.168 8.677 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.075 -4.049 8.626 1.00 0.67 H new ATOM 1527 N GLY A 102 8.626 -1.906 11.566 1.00 0.61 N ATOM 1528 CA GLY A 102 9.752 -2.228 12.420 1.00 0.81 C ATOM 1529 C GLY A 102 11.070 -1.678 11.906 1.00 0.85 C ATOM 1530 O GLY A 102 12.093 -2.342 12.034 1.00 1.53 O ATOM 0 H GLY A 102 7.986 -1.210 11.948 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.566 -1.834 13.419 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.830 -3.311 12.514 1.00 0.81 H new ATOM 1534 N GLN A 103 11.019 -0.471 11.324 1.00 0.64 N ATOM 1535 CA GLN A 103 12.196 0.259 10.815 1.00 0.60 C ATOM 1536 C GLN A 103 13.236 -0.624 10.107 1.00 0.61 C ATOM 1537 O GLN A 103 14.042 -1.312 10.733 1.00 0.65 O ATOM 1538 CB GLN A 103 12.861 1.090 11.925 1.00 0.71 C ATOM 1539 CG GLN A 103 13.484 0.282 13.054 1.00 1.01 C ATOM 1540 CD GLN A 103 14.258 1.146 14.019 1.00 1.35 C ATOM 1541 OE1 GLN A 103 13.719 1.620 15.020 1.00 1.78 O ATOM 1542 NE2 GLN A 103 15.528 1.367 13.720 1.00 2.11 N ATOM 0 H GLN A 103 10.145 0.037 11.190 1.00 0.64 H new ATOM 0 HA GLN A 103 11.803 0.927 10.049 1.00 0.60 H new ATOM 0 HB2 GLN A 103 13.634 1.714 11.476 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.116 1.763 12.349 1.00 0.71 H new ATOM 0 HG2 GLN A 103 12.699 -0.248 13.594 1.00 1.01 H new ATOM 0 HG3 GLN A 103 14.148 -0.473 12.633 1.00 1.01 H new ATOM 0 HE21 GLN A 103 15.934 0.954 12.880 1.00 2.11 H new ATOM 0 HE22 GLN A 103 16.101 1.950 14.329 1.00 2.11 H new ATOM 1551 N GLN A 104 13.236 -0.569 8.783 1.00 0.73 N ATOM 1552 CA GLN A 104 14.258 -1.250 7.995 1.00 0.94 C ATOM 1553 C GLN A 104 15.634 -0.664 8.310 1.00 1.02 C ATOM 1554 O GLN A 104 16.653 -1.339 8.183 1.00 1.28 O ATOM 1555 CB GLN A 104 13.949 -1.107 6.498 1.00 1.12 C ATOM 1556 CG GLN A 104 15.009 -1.695 5.572 1.00 1.96 C ATOM 1557 CD GLN A 104 15.174 -3.199 5.720 1.00 1.98 C ATOM 1558 OE1 GLN A 104 15.980 -3.673 6.517 1.00 2.02 O ATOM 1559 NE2 GLN A 104 14.424 -3.956 4.938 1.00 2.62 N ATOM 0 H GLN A 104 12.543 -0.062 8.232 1.00 0.73 H new ATOM 0 HA GLN A 104 14.260 -2.309 8.252 1.00 0.94 H new ATOM 0 HB2 GLN A 104 12.995 -1.591 6.290 1.00 1.12 H new ATOM 0 HB3 GLN A 104 13.828 -0.049 6.265 1.00 1.12 H new ATOM 0 HG2 GLN A 104 14.746 -1.466 4.539 1.00 1.96 H new ATOM 0 HG3 GLN A 104 15.965 -1.211 5.772 1.00 1.96 H new ATOM 0 HE21 GLN A 104 13.766 -3.524 4.289 1.00 2.62 H new ATOM 0 HE22 GLN A 104 14.503 -4.972 4.984 1.00 2.62 H new ATOM 1568 N THR A 105 15.643 0.605 8.723 1.00 1.14 N ATOM 1569 CA THR A 105 16.879 1.318 9.046 1.00 1.42 C ATOM 1570 C THR A 105 17.737 1.482 7.785 1.00 1.11 C ATOM 1571 O THR A 105 18.917 1.822 7.843 1.00 1.04 O ATOM 1572 CB THR A 105 17.667 0.590 10.161 1.00 1.90 C ATOM 1573 OG1 THR A 105 16.754 0.132 11.172 1.00 2.27 O ATOM 1574 CG2 THR A 105 18.693 1.513 10.806 1.00 2.43 C ATOM 0 H THR A 105 14.798 1.164 8.842 1.00 1.14 H new ATOM 0 HA THR A 105 16.619 2.308 9.421 1.00 1.42 H new ATOM 0 HB THR A 105 18.191 -0.252 9.709 1.00 1.90 H new ATOM 0 HG1 THR A 105 17.253 -0.331 11.878 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.230 0.972 11.585 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.399 1.857 10.050 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.185 2.372 11.245 1.00 2.43 H new ATOM 1582 N ASN A 106 17.090 1.249 6.645 1.00 1.04 N ATOM 1583 CA ASN A 106 17.694 1.393 5.325 1.00 0.88 C ATOM 1584 C ASN A 106 18.901 0.483 5.134 1.00 0.81 C ATOM 1585 O ASN A 106 20.033 0.840 5.457 1.00 0.79 O ATOM 1586 CB ASN A 106 18.073 2.846 5.041 1.00 0.97 C ATOM 1587 CG ASN A 106 18.434 3.063 3.587 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.552 3.092 2.724 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.713 3.235 3.310 1.00 0.80 N ATOM 0 H ASN A 106 16.115 0.950 6.614 1.00 1.04 H new ATOM 0 HA ASN A 106 16.935 1.084 4.606 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.241 3.497 5.309 1.00 0.97 H new ATOM 0 HB3 ASN A 106 18.916 3.131 5.670 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.009 3.401 2.348 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.406 3.202 4.058 1.00 0.80 H new ATOM 1596 N THR A 107 18.640 -0.697 4.604 1.00 0.86 N ATOM 1597 CA THR A 107 19.698 -1.619 4.229 1.00 0.89 C ATOM 1598 C THR A 107 20.008 -1.428 2.750 1.00 0.80 C ATOM 1599 O THR A 107 19.092 -1.510 1.935 1.00 0.86 O ATOM 1600 CB THR A 107 19.278 -3.081 4.503 1.00 1.13 C ATOM 1601 OG1 THR A 107 18.772 -3.195 5.842 1.00 1.68 O ATOM 1602 CG2 THR A 107 20.450 -4.038 4.324 1.00 1.53 C ATOM 0 H THR A 107 17.698 -1.042 4.422 1.00 0.86 H new ATOM 0 HA THR A 107 20.586 -1.412 4.826 1.00 0.89 H new ATOM 0 HB THR A 107 18.503 -3.349 3.785 1.00 1.13 H new ATOM 0 HG1 THR A 107 17.805 -3.353 5.814 1.00 1.68 H new ATOM 0 HG21 THR A 107 20.121 -5.058 4.524 1.00 1.53 H new ATOM 0 HG22 THR A 107 20.822 -3.971 3.302 1.00 1.53 H new ATOM 0 HG23 THR A 107 21.247 -3.771 5.018 1.00 1.53 H new ATOM 1610 N PRO A 108 21.293 -1.150 2.414 1.00 0.82 N ATOM 1611 CA PRO A 108 21.761 -0.769 1.069 1.00 0.84 C ATOM 1612 C PRO A 108 20.896 -1.277 -0.081 1.00 0.76 C ATOM 1613 O PRO A 108 21.032 -2.411 -0.544 1.00 0.91 O ATOM 1614 CB PRO A 108 23.146 -1.388 1.044 1.00 1.07 C ATOM 1615 CG PRO A 108 23.646 -1.187 2.436 1.00 1.26 C ATOM 1616 CD PRO A 108 22.434 -1.206 3.345 1.00 0.99 C ATOM 0 HA PRO A 108 21.730 0.310 0.915 1.00 0.84 H new ATOM 0 HB2 PRO A 108 23.108 -2.445 0.780 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.790 -0.900 0.312 1.00 1.07 H new ATOM 0 HG2 PRO A 108 24.348 -1.974 2.712 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.179 -0.240 2.522 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.407 -2.108 3.956 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.434 -0.357 4.029 1.00 0.99 H new ATOM 1624 N PRO A 109 19.959 -0.428 -0.513 1.00 0.61 N ATOM 1625 CA PRO A 109 19.002 -0.721 -1.563 1.00 0.56 C ATOM 1626 C PRO A 109 19.378 -0.127 -2.919 1.00 0.57 C ATOM 1627 O PRO A 109 20.552 0.090 -3.219 1.00 0.76 O ATOM 1628 CB PRO A 109 17.747 -0.033 -1.027 1.00 0.59 C ATOM 1629 CG PRO A 109 18.231 1.065 -0.125 1.00 0.64 C ATOM 1630 CD PRO A 109 19.715 0.898 0.047 1.00 0.63 C ATOM 0 HA PRO A 109 18.915 -1.790 -1.755 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.144 0.368 -1.841 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.118 -0.737 -0.482 1.00 0.59 H new ATOM 0 HG2 PRO A 109 18.004 2.041 -0.555 1.00 0.64 H new ATOM 0 HG3 PRO A 109 17.727 1.017 0.840 1.00 0.64 H new ATOM 0 HD2 PRO A 109 20.273 1.670 -0.483 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.010 0.955 1.095 1.00 0.63 H new ATOM 1638 N GLY A 110 18.353 0.120 -3.728 1.00 0.49 N ATOM 1639 CA GLY A 110 18.528 0.732 -5.026 1.00 0.58 C ATOM 1640 C GLY A 110 17.190 1.139 -5.605 1.00 0.54 C ATOM 1641 O GLY A 110 16.585 2.117 -5.161 1.00 0.76 O ATOM 0 H GLY A 110 17.384 -0.100 -3.497 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.174 1.606 -4.939 1.00 0.58 H new ATOM 0 HA3 GLY A 110 19.025 0.034 -5.700 1.00 0.58 H new ATOM 1645 N ASN A 111 16.712 0.374 -6.574 1.00 0.45 N ATOM 1646 CA ASN A 111 15.391 0.593 -7.146 1.00 0.44 C ATOM 1647 C ASN A 111 14.400 -0.423 -6.593 1.00 0.42 C ATOM 1648 O ASN A 111 14.524 -1.625 -6.837 1.00 0.58 O ATOM 1649 CB ASN A 111 15.437 0.495 -8.672 1.00 0.56 C ATOM 1650 CG ASN A 111 15.309 1.847 -9.347 1.00 1.10 C ATOM 1651 OD1 ASN A 111 16.303 2.531 -9.585 1.00 2.04 O ATOM 1652 ND2 ASN A 111 14.084 2.239 -9.664 1.00 1.41 N ATOM 0 H ASN A 111 17.222 -0.409 -6.983 1.00 0.45 H new ATOM 0 HA ASN A 111 15.065 1.596 -6.871 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.375 0.029 -8.974 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.633 -0.156 -9.015 1.00 0.56 H new ATOM 0 HD21 ASN A 111 13.939 3.138 -10.123 1.00 1.41 H new ATOM 0 HD22 ASN A 111 13.286 1.642 -9.449 1.00 1.41 H new ATOM 1659 N TYR A 112 13.436 0.057 -5.820 1.00 0.35 N ATOM 1660 CA TYR A 112 12.407 -0.808 -5.268 1.00 0.37 C ATOM 1661 C TYR A 112 11.088 -0.560 -5.976 1.00 0.42 C ATOM 1662 O TYR A 112 10.704 0.585 -6.230 1.00 0.55 O ATOM 1663 CB TYR A 112 12.264 -0.624 -3.747 1.00 0.40 C ATOM 1664 CG TYR A 112 13.384 -1.266 -2.955 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.662 -1.378 -3.484 1.00 0.64 C ATOM 1666 CD2 TYR A 112 13.163 -1.759 -1.680 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.684 -1.956 -2.767 1.00 0.67 C ATOM 1668 CE2 TYR A 112 14.175 -2.339 -0.956 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.435 -2.444 -1.512 1.00 0.59 C ATOM 1670 OH TYR A 112 16.434 -3.029 -0.781 1.00 0.69 O ATOM 0 H TYR A 112 13.346 1.040 -5.562 1.00 0.35 H new ATOM 0 HA TYR A 112 12.706 -1.843 -5.435 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.232 0.441 -3.519 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.313 -1.047 -3.425 1.00 0.40 H new ATOM 0 HD1 TYR A 112 14.858 -1.004 -4.478 1.00 0.64 H new ATOM 0 HD2 TYR A 112 12.176 -1.686 -1.247 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.675 -2.024 -3.191 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.987 -2.710 0.041 1.00 0.75 H new ATOM 0 HH TYR A 112 17.190 -3.238 -1.369 1.00 0.69 H new ATOM 1680 N THR A 113 10.419 -1.644 -6.310 1.00 0.38 N ATOM 1681 CA THR A 113 9.206 -1.604 -7.094 1.00 0.46 C ATOM 1682 C THR A 113 8.033 -2.139 -6.286 1.00 0.51 C ATOM 1683 O THR A 113 7.855 -3.346 -6.160 1.00 0.83 O ATOM 1684 CB THR A 113 9.366 -2.462 -8.359 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.526 -2.046 -9.091 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.136 -2.374 -9.250 1.00 0.74 C ATOM 0 H THR A 113 10.706 -2.585 -6.042 1.00 0.38 H new ATOM 0 HA THR A 113 9.015 -0.567 -7.371 1.00 0.46 H new ATOM 0 HB THR A 113 9.484 -3.499 -8.046 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.535 -2.485 -9.967 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.283 -2.993 -10.135 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.263 -2.728 -8.701 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.979 -1.339 -9.553 1.00 0.74 H new ATOM 1694 N LEU A 114 7.253 -1.243 -5.726 1.00 0.34 N ATOM 1695 CA LEU A 114 6.082 -1.638 -4.965 1.00 0.38 C ATOM 1696 C LEU A 114 4.813 -1.246 -5.712 1.00 0.40 C ATOM 1697 O LEU A 114 4.321 -0.123 -5.599 1.00 0.47 O ATOM 1698 CB LEU A 114 6.102 -1.035 -3.553 1.00 0.43 C ATOM 1699 CG LEU A 114 6.538 0.422 -3.470 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.813 1.126 -2.335 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.046 0.527 -3.281 1.00 0.41 C ATOM 0 H LEU A 114 7.405 -0.236 -5.781 1.00 0.34 H new ATOM 0 HA LEU A 114 6.097 -2.722 -4.853 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.103 -1.123 -3.125 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.769 -1.632 -2.931 1.00 0.43 H new ATOM 0 HG LEU A 114 6.277 0.910 -4.409 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.135 2.166 -2.288 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.738 1.086 -2.510 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.046 0.631 -1.392 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.333 1.577 -3.225 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.333 0.022 -2.359 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.552 0.057 -4.124 1.00 0.41 H new ATOM 1713 N THR A 115 4.322 -2.172 -6.516 1.00 0.42 N ATOM 1714 CA THR A 115 3.121 -1.956 -7.298 1.00 0.45 C ATOM 1715 C THR A 115 1.882 -2.223 -6.446 1.00 0.44 C ATOM 1716 O THR A 115 1.756 -3.290 -5.843 1.00 0.47 O ATOM 1717 CB THR A 115 3.118 -2.884 -8.525 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.465 -3.078 -8.978 1.00 0.56 O ATOM 1719 CG2 THR A 115 2.291 -2.292 -9.655 1.00 0.59 C ATOM 0 H THR A 115 4.744 -3.092 -6.644 1.00 0.42 H new ATOM 0 HA THR A 115 3.104 -0.919 -7.633 1.00 0.45 H new ATOM 0 HB THR A 115 2.676 -3.837 -8.234 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.465 -3.670 -9.759 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.306 -2.968 -10.510 1.00 0.59 H new ATOM 0 HG22 THR A 115 1.263 -2.154 -9.320 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.710 -1.329 -9.947 1.00 0.59 H new ATOM 1727 N LEU A 116 0.984 -1.252 -6.379 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.209 -1.372 -5.555 1.00 0.47 C ATOM 1729 C LEU A 116 -1.475 -1.370 -6.413 1.00 0.48 C ATOM 1730 O LEU A 116 -1.844 -0.348 -6.993 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.262 -0.222 -4.546 1.00 0.54 C ATOM 1732 CG LEU A 116 0.904 -0.161 -3.553 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.813 1.098 -2.704 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.917 -1.399 -2.669 1.00 1.05 C ATOM 0 H LEU A 116 1.059 -0.370 -6.886 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.161 -2.322 -5.022 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.298 0.719 -5.095 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.192 -0.298 -3.983 1.00 0.54 H new ATOM 0 HG LEU A 116 1.836 -0.131 -4.117 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.648 1.126 -2.004 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.851 1.976 -3.349 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -0.125 1.096 -2.149 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.751 -1.338 -1.970 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.018 -1.459 -2.113 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.027 -2.288 -3.290 1.00 1.05 H new ATOM 1746 N THR A 117 -2.137 -2.514 -6.477 1.00 0.44 N ATOM 1747 CA THR A 117 -3.358 -2.650 -7.249 1.00 0.48 C ATOM 1748 C THR A 117 -4.574 -2.323 -6.379 1.00 0.58 C ATOM 1749 O THR A 117 -4.937 -3.085 -5.476 1.00 0.70 O ATOM 1750 CB THR A 117 -3.485 -4.074 -7.825 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.282 -4.408 -8.534 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.680 -4.175 -8.764 1.00 0.57 C ATOM 0 H THR A 117 -1.845 -3.367 -5.999 1.00 0.44 H new ATOM 0 HA THR A 117 -3.318 -1.945 -8.080 1.00 0.48 H new ATOM 0 HB THR A 117 -3.637 -4.772 -7.002 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.319 -5.345 -8.818 1.00 0.56 H new ATOM 0 HG21 THR A 117 -4.749 -5.189 -9.158 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.593 -3.935 -8.219 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.555 -3.473 -9.589 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.189 -1.180 -6.652 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.309 -0.726 -5.851 1.00 0.79 C ATOM 1762 C GLY A 118 -7.589 -1.494 -6.120 1.00 0.64 C ATOM 1763 O GLY A 118 -7.628 -2.397 -6.961 1.00 0.80 O ATOM 0 H GLY A 118 -4.931 -0.557 -7.417 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.053 -0.818 -4.796 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.481 0.333 -6.046 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.636 -1.146 -5.391 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.918 -1.780 -5.579 1.00 0.50 C ATOM 1769 C GLY A 119 -10.748 -1.739 -4.323 1.00 0.44 C ATOM 1770 O GLY A 119 -10.383 -1.066 -3.359 1.00 0.53 O ATOM 0 H GLY A 119 -8.618 -0.429 -4.666 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.455 -1.283 -6.387 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.771 -2.816 -5.884 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.855 -2.458 -4.313 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.686 -2.512 -3.125 1.00 0.41 C ATOM 1776 C TYR A 120 -12.483 -3.832 -2.400 1.00 0.43 C ATOM 1777 O TYR A 120 -11.641 -4.649 -2.790 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.174 -2.272 -3.446 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.854 -3.339 -4.281 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.376 -4.482 -3.687 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -14.943 -3.219 -5.666 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -15.969 -5.473 -4.446 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.541 -4.203 -6.429 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.150 -5.266 -5.812 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.636 -6.317 -6.576 1.00 0.89 O ATOM 0 H TYR A 120 -12.196 -3.006 -5.103 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.375 -1.702 -2.465 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.717 -2.174 -2.506 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.264 -1.319 -3.967 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.317 -4.598 -2.615 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.538 -2.343 -6.151 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.288 -6.397 -3.986 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.529 -4.136 -7.507 1.00 0.73 H new ATOM 0 HH TYR A 120 -16.714 -6.033 -7.511 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.246 -4.026 -1.345 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.100 -5.175 -0.477 1.00 0.40 C ATOM 1797 C TRP A 121 -14.474 -5.613 0.031 1.00 0.48 C ATOM 1798 O TRP A 121 -15.385 -4.794 0.142 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.181 -4.784 0.687 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.277 -5.696 1.859 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.221 -5.655 2.827 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.409 -6.773 2.192 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.009 -6.653 3.731 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.901 -7.350 3.367 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.272 -7.307 1.610 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.295 -8.436 3.969 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.666 -8.391 2.213 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.181 -8.942 3.381 1.00 0.51 C ATOM 0 H TRP A 121 -13.990 -3.387 -1.064 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.660 -6.013 -1.017 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.150 -4.768 0.334 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.425 -3.771 1.006 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.026 -4.936 2.876 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.588 -6.845 4.548 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.867 -6.884 0.702 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.694 -8.867 4.875 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.778 -8.818 1.771 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.685 -9.790 3.830 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.619 -6.900 0.326 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.858 -7.421 0.875 1.00 0.73 C ATOM 1821 C ALA A 122 -15.605 -8.263 2.131 1.00 0.90 C ATOM 1822 O ALA A 122 -14.615 -8.999 2.209 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.600 -8.239 -0.173 1.00 0.94 C ATOM 0 H ALA A 122 -13.890 -7.601 0.192 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.478 -6.572 1.163 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.527 -8.623 0.254 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -16.830 -7.608 -1.031 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -15.975 -9.073 -0.493 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.508 -8.125 3.106 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.485 -8.884 4.363 1.00 0.97 C ATOM 1831 C LYS A 123 -15.355 -8.436 5.282 1.00 0.83 C ATOM 1832 O LYS A 123 -14.968 -7.272 5.259 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.426 -10.389 4.105 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.765 -10.968 3.676 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.900 -10.363 4.489 1.00 1.97 C ATOM 1836 CE LYS A 123 -20.218 -11.070 4.241 1.00 2.89 C ATOM 1837 NZ LYS A 123 -20.263 -12.397 4.909 1.00 3.47 N ATOM 0 H LYS A 123 -17.289 -7.472 3.044 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.421 -8.671 4.879 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -15.684 -10.591 3.333 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -16.090 -10.895 5.010 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -17.927 -10.774 2.616 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -17.756 -12.050 3.804 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -18.654 -10.416 5.550 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -19.002 -9.307 4.238 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -21.038 -10.451 4.606 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -20.367 -11.197 3.169 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -21.218 -12.799 4.818 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.574 -13.035 4.461 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -20.028 -12.287 5.916 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.859 -9.332 6.133 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.821 -8.958 7.089 1.00 0.81 C ATOM 1853 C ASP A 124 -12.673 -9.951 7.125 1.00 0.71 C ATOM 1854 O ASP A 124 -12.830 -11.083 7.578 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.391 -8.812 8.499 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.284 -7.603 8.663 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -14.752 -6.476 8.761 1.00 2.08 O ATOM 1858 OD2 ASP A 124 -16.518 -7.777 8.725 1.00 2.02 O ATOM 0 H ASP A 124 -15.154 -10.307 6.180 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.435 -7.998 6.745 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -14.957 -9.709 8.749 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -13.568 -8.746 9.211 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.524 -9.493 6.633 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.242 -10.221 6.673 1.00 0.73 C ATOM 1865 C ASN A 125 -10.265 -11.581 5.960 1.00 0.73 C ATOM 1866 O ASN A 125 -9.219 -12.203 5.789 1.00 0.91 O ATOM 1867 CB ASN A 125 -9.763 -10.406 8.111 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.692 -9.097 8.881 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -10.664 -8.682 9.513 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -8.547 -8.434 8.837 1.00 2.40 N ATOM 0 H ASN A 125 -11.449 -8.581 6.182 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.543 -9.592 6.121 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.436 -11.090 8.628 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -8.778 -10.872 8.104 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -8.450 -7.550 9.337 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -7.762 -8.807 8.303 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.436 -12.033 5.529 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.558 -13.318 4.844 1.00 0.76 C ATOM 1879 C LYS A 126 -11.055 -13.215 3.407 1.00 0.76 C ATOM 1880 O LYS A 126 -11.015 -14.207 2.680 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.017 -13.803 4.878 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.995 -12.941 4.085 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.117 -13.404 2.639 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.037 -12.496 1.842 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.192 -12.958 0.434 1.00 1.96 N ATOM 0 H LYS A 126 -12.316 -11.530 5.641 1.00 0.66 H new ATOM 0 HA LYS A 126 -10.939 -14.048 5.365 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.056 -14.821 4.492 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.348 -13.843 5.916 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -14.975 -12.973 4.560 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.664 -11.903 4.107 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.130 -13.421 2.176 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -14.499 -14.425 2.613 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.015 -12.459 2.322 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.640 -11.481 1.849 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -15.827 -12.311 -0.076 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -14.262 -12.969 -0.032 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -15.595 -13.917 0.426 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.683 -11.995 3.028 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.225 -11.671 1.681 1.00 0.64 C ATOM 1901 C GLN A 127 -11.393 -11.633 0.707 1.00 0.63 C ATOM 1902 O GLN A 127 -11.734 -12.631 0.078 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.149 -12.642 1.194 1.00 0.79 C ATOM 1904 CG GLN A 127 -8.595 -12.293 -0.176 1.00 1.28 C ATOM 1905 CD GLN A 127 -7.613 -13.337 -0.676 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -7.728 -14.520 -0.355 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.639 -12.914 -1.465 1.00 1.62 N ATOM 0 H GLN A 127 -10.692 -11.193 3.658 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.775 -10.679 1.723 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.331 -12.658 1.915 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.566 -13.649 1.163 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -9.417 -12.199 -0.886 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -8.100 -11.323 -0.131 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -6.574 -11.926 -1.711 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -5.953 -13.576 -1.828 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.041 -10.483 0.633 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.076 -10.289 -0.351 1.00 0.50 C ATOM 1918 C GLY A 128 -12.753 -9.138 -1.273 1.00 0.45 C ATOM 1919 O GLY A 128 -13.644 -8.438 -1.737 1.00 0.77 O ATOM 0 H GLY A 128 -11.867 -9.681 1.239 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.200 -11.201 -0.935 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.025 -10.100 0.150 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.474 -8.940 -1.542 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.049 -7.772 -2.288 1.00 0.63 C ATOM 1925 C PHE A 129 -11.295 -7.971 -3.778 1.00 0.58 C ATOM 1926 O PHE A 129 -11.307 -9.097 -4.276 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.563 -7.453 -2.026 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.570 -8.338 -2.736 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.257 -8.121 -4.065 1.00 0.75 C ATOM 1930 CD2 PHE A 129 -7.967 -9.401 -2.077 1.00 1.02 C ATOM 1931 CE1 PHE A 129 -7.362 -8.944 -4.721 1.00 0.89 C ATOM 1932 CE2 PHE A 129 -7.073 -10.226 -2.730 1.00 1.21 C ATOM 1933 CZ PHE A 129 -6.708 -9.943 -4.036 1.00 1.14 C ATOM 0 H PHE A 129 -10.720 -9.566 -1.258 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.641 -6.923 -1.946 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.375 -6.420 -2.318 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.380 -7.519 -0.954 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -8.717 -7.300 -4.596 1.00 0.75 H new ATOM 0 HD2 PHE A 129 -8.201 -9.585 -1.039 1.00 1.02 H new ATOM 0 HE1 PHE A 129 -7.175 -8.803 -5.775 1.00 0.89 H new ATOM 0 HE2 PHE A 129 -6.661 -11.087 -2.225 1.00 1.21 H new ATOM 0 HZ PHE A 129 -5.916 -10.502 -4.513 1.00 1.14 H new ATOM 1943 N THR A 130 -11.499 -6.873 -4.477 1.00 0.61 N ATOM 1944 CA THR A 130 -11.633 -6.892 -5.920 1.00 0.63 C ATOM 1945 C THR A 130 -10.804 -5.766 -6.524 1.00 0.60 C ATOM 1946 O THR A 130 -10.817 -4.646 -6.013 1.00 0.67 O ATOM 1947 CB THR A 130 -13.109 -6.738 -6.337 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.903 -7.727 -5.672 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.281 -6.876 -7.843 1.00 0.90 C ATOM 0 H THR A 130 -11.576 -5.944 -4.062 1.00 0.61 H new ATOM 0 HA THR A 130 -11.272 -7.852 -6.290 1.00 0.63 H new ATOM 0 HB THR A 130 -13.438 -5.740 -6.049 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.683 -7.299 -5.262 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.334 -6.762 -8.101 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.698 -6.106 -8.348 1.00 0.90 H new ATOM 0 HG23 THR A 130 -12.934 -7.859 -8.160 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.021 -6.058 -7.573 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.255 -5.036 -8.284 1.00 0.65 C ATOM 1959 C PRO A 131 -10.162 -4.075 -9.045 1.00 0.63 C ATOM 1960 O PRO A 131 -10.829 -4.454 -10.008 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.374 -5.840 -9.242 1.00 0.80 C ATOM 1962 CG PRO A 131 -9.081 -7.140 -9.425 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.811 -7.406 -8.137 1.00 0.75 C ATOM 0 HA PRO A 131 -8.679 -4.406 -7.606 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.251 -5.321 -10.193 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.377 -5.989 -8.829 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -9.776 -7.090 -10.263 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -8.374 -7.940 -9.644 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.756 -7.920 -8.311 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.225 -8.035 -7.466 1.00 0.75 H new ATOM 1971 N SER A 132 -10.192 -2.834 -8.592 1.00 0.55 N ATOM 1972 CA SER A 132 -11.053 -1.824 -9.179 1.00 0.57 C ATOM 1973 C SER A 132 -10.304 -0.503 -9.272 1.00 0.56 C ATOM 1974 O SER A 132 -10.065 0.167 -8.264 1.00 0.73 O ATOM 1975 CB SER A 132 -12.322 -1.665 -8.339 1.00 0.64 C ATOM 1976 OG SER A 132 -12.923 -2.924 -8.076 1.00 1.52 O ATOM 0 H SER A 132 -9.625 -2.500 -7.813 1.00 0.55 H new ATOM 0 HA SER A 132 -11.341 -2.135 -10.183 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.079 -1.171 -7.398 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.030 -1.023 -8.863 1.00 0.64 H new ATOM 0 HG SER A 132 -13.707 -2.799 -7.501 1.00 1.52 H new ATOM 1982 N GLY A 133 -9.908 -0.144 -10.479 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.123 1.051 -10.668 1.00 0.57 C ATOM 1984 C GLY A 133 -7.857 0.765 -11.440 1.00 0.62 C ATOM 1985 O GLY A 133 -7.898 0.148 -12.503 1.00 1.17 O ATOM 0 H GLY A 133 -10.117 -0.661 -11.333 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -9.715 1.796 -11.200 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -8.870 1.479 -9.698 1.00 0.57 H new ATOM 1989 N THR A 134 -6.732 1.190 -10.898 1.00 0.62 N ATOM 1990 CA THR A 134 -5.450 1.002 -11.552 1.00 0.97 C ATOM 1991 C THR A 134 -4.436 0.465 -10.547 1.00 0.68 C ATOM 1992 O THR A 134 -4.643 0.578 -9.335 1.00 0.95 O ATOM 1993 CB THR A 134 -4.952 2.340 -12.147 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.006 2.947 -12.907 1.00 2.38 O ATOM 1995 CG2 THR A 134 -3.739 2.144 -13.049 1.00 2.47 C ATOM 0 H THR A 134 -6.680 1.671 -10.000 1.00 0.62 H new ATOM 0 HA THR A 134 -5.566 0.283 -12.363 1.00 0.97 H new ATOM 0 HB THR A 134 -4.658 2.982 -11.317 1.00 1.77 H new ATOM 0 HG1 THR A 134 -5.691 3.796 -13.283 1.00 2.38 H new ATOM 0 HG21 THR A 134 -3.421 3.108 -13.446 1.00 2.47 H new ATOM 0 HG22 THR A 134 -2.925 1.703 -12.474 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.002 1.481 -13.873 1.00 2.47 H new ATOM 2003 N THR A 135 -3.372 -0.153 -11.038 1.00 0.72 N ATOM 2004 CA THR A 135 -2.289 -0.572 -10.174 1.00 0.70 C ATOM 2005 C THR A 135 -1.176 0.480 -10.209 1.00 0.64 C ATOM 2006 O THR A 135 -0.518 0.691 -11.230 1.00 0.88 O ATOM 2007 CB THR A 135 -1.758 -1.983 -10.547 1.00 1.08 C ATOM 2008 OG1 THR A 135 -0.784 -2.417 -9.595 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.156 -2.028 -11.944 1.00 1.27 C ATOM 0 H THR A 135 -3.240 -0.373 -12.025 1.00 0.72 H new ATOM 0 HA THR A 135 -2.668 -0.652 -9.155 1.00 0.70 H new ATOM 0 HB THR A 135 -2.616 -2.655 -10.533 1.00 1.08 H new ATOM 0 HG1 THR A 135 -1.090 -3.244 -9.168 1.00 1.82 H new ATOM 0 HG21 THR A 135 -0.800 -3.037 -12.155 1.00 1.27 H new ATOM 0 HG22 THR A 135 -1.914 -1.751 -12.676 1.00 1.27 H new ATOM 0 HG23 THR A 135 -0.322 -1.329 -12.003 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.011 1.182 -9.101 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.036 2.246 -9.039 1.00 0.58 C ATOM 2019 C GLY A 136 1.312 1.755 -8.578 1.00 0.45 C ATOM 2020 O GLY A 136 1.448 1.248 -7.465 1.00 0.67 O ATOM 0 H GLY A 136 -1.538 1.033 -8.240 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.063 2.704 -10.023 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.390 3.022 -8.360 1.00 0.58 H new ATOM 2024 N THR A 137 2.308 1.897 -9.429 1.00 0.38 N ATOM 2025 CA THR A 137 3.648 1.474 -9.099 1.00 0.33 C ATOM 2026 C THR A 137 4.358 2.575 -8.327 1.00 0.33 C ATOM 2027 O THR A 137 4.807 3.565 -8.913 1.00 0.39 O ATOM 2028 CB THR A 137 4.455 1.141 -10.368 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.659 0.343 -11.257 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.738 0.399 -10.020 1.00 0.50 C ATOM 0 H THR A 137 2.210 2.305 -10.359 1.00 0.38 H new ATOM 0 HA THR A 137 3.578 0.575 -8.487 1.00 0.33 H new ATOM 0 HB THR A 137 4.722 2.077 -10.858 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.044 0.922 -11.754 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.289 0.176 -10.934 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.352 1.020 -9.369 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.493 -0.532 -9.508 1.00 0.50 H new ATOM 2038 N THR A 138 4.435 2.419 -7.014 1.00 0.32 N ATOM 2039 CA THR A 138 5.144 3.375 -6.192 1.00 0.36 C ATOM 2040 C THR A 138 6.631 3.106 -6.326 1.00 0.37 C ATOM 2041 O THR A 138 7.133 2.080 -5.869 1.00 0.38 O ATOM 2042 CB THR A 138 4.709 3.290 -4.716 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.279 3.316 -4.637 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.283 4.446 -3.907 1.00 0.52 C ATOM 0 H THR A 138 4.016 1.643 -6.502 1.00 0.32 H new ATOM 0 HA THR A 138 4.909 4.384 -6.532 1.00 0.36 H new ATOM 0 HB THR A 138 5.089 2.357 -4.300 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.002 3.260 -3.699 1.00 0.40 H new ATOM 0 HG21 THR A 138 4.960 4.360 -2.870 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.372 4.416 -3.951 1.00 0.52 H new ATOM 0 HG23 THR A 138 4.929 5.390 -4.320 1.00 0.52 H new ATOM 2052 N LYS A 139 7.325 3.998 -7.002 1.00 0.41 N ATOM 2053 CA LYS A 139 8.714 3.768 -7.321 1.00 0.44 C ATOM 2054 C LYS A 139 9.607 4.455 -6.315 1.00 0.44 C ATOM 2055 O LYS A 139 9.714 5.682 -6.276 1.00 0.49 O ATOM 2056 CB LYS A 139 9.005 4.245 -8.741 1.00 0.53 C ATOM 2057 CG LYS A 139 10.329 3.756 -9.300 1.00 0.59 C ATOM 2058 CD LYS A 139 10.404 3.988 -10.798 1.00 1.21 C ATOM 2059 CE LYS A 139 9.257 3.294 -11.517 1.00 1.33 C ATOM 2060 NZ LYS A 139 9.265 3.557 -12.976 1.00 2.18 N ATOM 0 H LYS A 139 6.950 4.885 -7.339 1.00 0.41 H new ATOM 0 HA LYS A 139 8.922 2.699 -7.271 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.201 3.912 -9.397 1.00 0.53 H new ATOM 0 HB3 LYS A 139 8.997 5.335 -8.755 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.151 4.275 -8.806 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.448 2.694 -9.086 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.374 5.058 -11.006 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.355 3.616 -11.180 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.320 2.220 -11.344 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.310 3.630 -11.095 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 8.466 3.064 -13.422 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.179 4.580 -13.145 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.157 3.213 -13.386 1.00 2.18 H new ATOM 2074 N LEU A 140 10.236 3.639 -5.499 1.00 0.45 N ATOM 2075 CA LEU A 140 11.111 4.118 -4.462 1.00 0.44 C ATOM 2076 C LEU A 140 12.568 3.844 -4.831 1.00 0.39 C ATOM 2077 O LEU A 140 13.020 2.697 -4.847 1.00 0.40 O ATOM 2078 CB LEU A 140 10.725 3.472 -3.125 1.00 0.46 C ATOM 2079 CG LEU A 140 11.800 3.495 -2.042 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.246 4.920 -1.744 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.291 2.835 -0.777 1.00 0.62 C ATOM 0 H LEU A 140 10.152 2.623 -5.539 1.00 0.45 H new ATOM 0 HA LEU A 140 11.002 5.197 -4.357 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.839 3.977 -2.741 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.446 2.435 -3.311 1.00 0.46 H new ATOM 0 HG LEU A 140 12.660 2.937 -2.412 1.00 0.53 H new ATOM 0 HD11 LEU A 140 13.012 4.907 -0.969 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.653 5.371 -2.649 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.392 5.504 -1.400 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.070 2.860 -0.015 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.413 3.370 -0.416 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.024 1.800 -0.989 1.00 0.62 H new ATOM 2093 N THR A 141 13.278 4.909 -5.165 1.00 0.39 N ATOM 2094 CA THR A 141 14.688 4.829 -5.503 1.00 0.38 C ATOM 2095 C THR A 141 15.505 5.445 -4.377 1.00 0.34 C ATOM 2096 O THR A 141 15.369 6.628 -4.082 1.00 0.40 O ATOM 2097 CB THR A 141 14.987 5.571 -6.820 1.00 0.48 C ATOM 2098 OG1 THR A 141 14.023 5.203 -7.820 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.387 5.245 -7.321 1.00 0.54 C ATOM 0 H THR A 141 12.893 5.852 -5.209 1.00 0.39 H new ATOM 0 HA THR A 141 14.955 3.780 -5.635 1.00 0.38 H new ATOM 0 HB THR A 141 14.925 6.642 -6.628 1.00 0.48 H new ATOM 0 HG1 THR A 141 14.218 5.680 -8.654 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.574 5.781 -8.252 1.00 0.54 H new ATOM 0 HG22 THR A 141 17.121 5.548 -6.574 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.470 4.172 -7.497 1.00 0.54 H new ATOM 2107 N VAL A 142 16.339 4.650 -3.738 1.00 0.44 N ATOM 2108 CA VAL A 142 17.033 5.105 -2.549 1.00 0.57 C ATOM 2109 C VAL A 142 18.400 5.686 -2.873 1.00 0.77 C ATOM 2110 O VAL A 142 19.281 4.996 -3.384 1.00 1.10 O ATOM 2111 CB VAL A 142 17.191 3.972 -1.527 1.00 0.80 C ATOM 2112 CG1 VAL A 142 17.805 4.490 -0.241 1.00 1.69 C ATOM 2113 CG2 VAL A 142 15.851 3.306 -1.262 1.00 1.74 C ATOM 0 H VAL A 142 16.552 3.693 -4.019 1.00 0.44 H new ATOM 0 HA VAL A 142 16.417 5.894 -2.117 1.00 0.57 H new ATOM 0 HB VAL A 142 17.867 3.224 -1.942 1.00 0.80 H new ATOM 0 HG11 VAL A 142 17.908 3.670 0.469 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.787 4.913 -0.451 1.00 1.69 H new ATOM 0 HG13 VAL A 142 17.162 5.260 0.185 1.00 1.69 H new ATOM 0 HG21 VAL A 142 15.981 2.504 -0.535 1.00 1.74 H new ATOM 0 HG22 VAL A 142 15.150 4.042 -0.869 1.00 1.74 H new ATOM 0 HG23 VAL A 142 15.460 2.893 -2.192 1.00 1.74 H new ATOM 2123 N THR A 143 18.548 6.971 -2.594 1.00 0.85 N ATOM 2124 CA THR A 143 19.824 7.654 -2.697 1.00 1.18 C ATOM 2125 C THR A 143 19.817 8.872 -1.782 1.00 1.82 C ATOM 2126 O THR A 143 19.247 9.913 -2.172 1.00 2.22 O ATOM 2127 CB THR A 143 20.133 8.090 -4.145 1.00 1.54 C ATOM 2128 OG1 THR A 143 20.109 6.949 -5.018 1.00 2.04 O ATOM 2129 CG2 THR A 143 21.497 8.762 -4.229 1.00 1.94 C ATOM 2130 OXT THR A 143 20.354 8.775 -0.662 1.00 2.58 O ATOM 0 H THR A 143 17.782 7.571 -2.288 1.00 0.85 H new ATOM 0 HA THR A 143 20.604 6.956 -2.393 1.00 1.18 H new ATOM 0 HB THR A 143 19.370 8.804 -4.455 1.00 1.54 H new ATOM 0 HG1 THR A 143 20.133 6.128 -4.484 1.00 2.04 H new ATOM 0 HG21 THR A 143 21.693 9.061 -5.259 1.00 1.94 H new ATOM 0 HG22 THR A 143 21.509 9.643 -3.587 1.00 1.94 H new ATOM 0 HG23 THR A 143 22.267 8.064 -3.901 1.00 1.94 H new