USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 748 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 53 LYS NZ :NH3+ -93:sc=-0.000742 (180deg=0) USER MOD Set 1.2: A 69 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.3) USER MOD Set 2.1: A 42 CYS SG : rot -3:sc= 1.89 USER MOD Set 2.2: A 79 SER OG : rot 64:sc= 0.835 USER MOD Set 2.3: A 81 SER OG : rot 70:sc= 0.0297 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0207 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.821 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 1.12 USER MOD Single : A 12 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.3!) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.78) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.406 USER MOD Single : A 33 SER OG : rot -130:sc= -0.248 USER MOD Single : A 34 SER OG : rot 22:sc= 0.0132 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.075) USER MOD Single : A 46 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.91) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 26:sc= 0.00224 USER MOD Single : A 58 GLN : amide:sc= -2.99 K(o=-3,f=-8.5!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.72! C(o=-4.7!,f=-6!) USER MOD Single : A 75 SER OG : rot -83:sc= 0.297 USER MOD Single : A 78 TYR OH : rot -95:sc= 0.722 USER MOD Single : A 80 CYS SG : rot 85:sc= 0.288 USER MOD Single : A 85 GLN : amide:sc= -0.0565 X(o=-0.056,f=-0.056) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -130:sc= -1.44! USER MOD Single : A 88 SER OG : rot 22:sc= 0.553 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 55:sc= 1.05 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.037 -9.565 -5.130 1.00 0.00 N ATOM 2 CA GLY A 1 23.688 -10.049 -5.357 1.00 0.00 C ATOM 3 C GLY A 1 22.909 -9.168 -6.313 1.00 0.00 C ATOM 4 O GLY A 1 23.476 -8.605 -7.250 1.00 0.00 O ATOM 0 H1 GLY A 1 25.706 -10.358 -5.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.274 -8.849 -5.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.099 -9.141 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.731 -11.063 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.160 -10.103 -4.405 1.00 0.00 H new ATOM 8 N SER A 2 21.606 -9.049 -6.078 1.00 0.00 N ATOM 9 CA SER A 2 20.748 -8.234 -6.930 1.00 0.00 C ATOM 10 C SER A 2 20.263 -6.994 -6.185 1.00 0.00 C ATOM 11 O SER A 2 19.548 -7.095 -5.188 1.00 0.00 O ATOM 12 CB SER A 2 19.549 -9.053 -7.414 1.00 0.00 C ATOM 13 OG SER A 2 18.671 -9.354 -6.344 1.00 0.00 O ATOM 0 H SER A 2 21.122 -9.506 -5.305 1.00 0.00 H new ATOM 0 HA SER A 2 21.333 -7.913 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.012 -8.498 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.898 -9.978 -7.873 1.00 0.00 H new ATOM 0 HG SER A 2 18.763 -8.674 -5.644 1.00 0.00 H new ATOM 19 N SER A 3 20.657 -5.824 -6.677 1.00 0.00 N ATOM 20 CA SER A 3 20.267 -4.563 -6.057 1.00 0.00 C ATOM 21 C SER A 3 20.681 -4.529 -4.589 1.00 0.00 C ATOM 22 O SER A 3 19.928 -4.071 -3.730 1.00 0.00 O ATOM 23 CB SER A 3 18.756 -4.358 -6.178 1.00 0.00 C ATOM 24 OG SER A 3 18.394 -4.001 -7.501 1.00 0.00 O ATOM 0 H SER A 3 21.246 -5.723 -7.503 1.00 0.00 H new ATOM 0 HA SER A 3 20.779 -3.755 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.238 -5.273 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.435 -3.579 -5.487 1.00 0.00 H new ATOM 0 HG SER A 3 17.423 -3.877 -7.552 1.00 0.00 H new ATOM 30 N GLY A 4 21.885 -5.018 -4.308 1.00 0.00 N ATOM 31 CA GLY A 4 22.379 -5.035 -2.944 1.00 0.00 C ATOM 32 C GLY A 4 23.874 -5.275 -2.871 1.00 0.00 C ATOM 33 O GLY A 4 24.335 -6.408 -3.009 1.00 0.00 O ATOM 0 H GLY A 4 22.527 -5.403 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.143 -4.085 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.862 -5.813 -2.383 1.00 0.00 H new ATOM 37 N SER A 5 24.634 -4.205 -2.657 1.00 0.00 N ATOM 38 CA SER A 5 26.086 -4.304 -2.572 1.00 0.00 C ATOM 39 C SER A 5 26.508 -5.049 -1.309 1.00 0.00 C ATOM 40 O SER A 5 27.292 -5.996 -1.366 1.00 0.00 O ATOM 41 CB SER A 5 26.716 -2.910 -2.590 1.00 0.00 C ATOM 42 OG SER A 5 26.708 -2.363 -3.897 1.00 0.00 O ATOM 0 H SER A 5 24.268 -3.260 -2.539 1.00 0.00 H new ATOM 0 HA SER A 5 26.438 -4.865 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.170 -2.252 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.741 -2.966 -2.222 1.00 0.00 H new ATOM 0 HG SER A 5 27.114 -1.471 -3.881 1.00 0.00 H new ATOM 48 N SER A 6 25.980 -4.613 -0.169 1.00 0.00 N ATOM 49 CA SER A 6 26.303 -5.235 1.109 1.00 0.00 C ATOM 50 C SER A 6 25.034 -5.580 1.882 1.00 0.00 C ATOM 51 O SER A 6 24.400 -4.709 2.477 1.00 0.00 O ATOM 52 CB SER A 6 27.185 -4.304 1.944 1.00 0.00 C ATOM 53 OG SER A 6 26.494 -3.115 2.284 1.00 0.00 O ATOM 0 H SER A 6 25.327 -3.832 -0.105 1.00 0.00 H new ATOM 0 HA SER A 6 26.847 -6.158 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.502 -4.816 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.088 -4.056 1.386 1.00 0.00 H new ATOM 0 HG SER A 6 25.548 -3.319 2.436 1.00 0.00 H new ATOM 59 N GLY A 7 24.669 -6.858 1.868 1.00 0.00 N ATOM 60 CA GLY A 7 23.477 -7.297 2.570 1.00 0.00 C ATOM 61 C GLY A 7 22.205 -6.978 1.809 1.00 0.00 C ATOM 62 O GLY A 7 22.109 -5.965 1.117 1.00 0.00 O ATOM 0 H GLY A 7 25.177 -7.597 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.535 -8.372 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.440 -6.820 3.550 1.00 0.00 H new ATOM 66 N PRO A 8 21.201 -7.859 1.932 1.00 0.00 N ATOM 67 CA PRO A 8 19.911 -7.688 1.257 1.00 0.00 C ATOM 68 C PRO A 8 19.101 -6.534 1.837 1.00 0.00 C ATOM 69 O PRO A 8 19.353 -6.086 2.956 1.00 0.00 O ATOM 70 CB PRO A 8 19.200 -9.020 1.507 1.00 0.00 C ATOM 71 CG PRO A 8 19.815 -9.548 2.757 1.00 0.00 C ATOM 72 CD PRO A 8 21.247 -9.089 2.741 1.00 0.00 C ATOM 0 HA PRO A 8 20.033 -7.446 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.125 -8.880 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.343 -9.708 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.294 -9.171 3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.754 -10.636 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.618 -8.895 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.904 -9.837 2.298 1.00 0.00 H new ATOM 80 N VAL A 9 18.127 -6.056 1.070 1.00 0.00 N ATOM 81 CA VAL A 9 17.278 -4.955 1.509 1.00 0.00 C ATOM 82 C VAL A 9 16.260 -5.424 2.542 1.00 0.00 C ATOM 83 O VAL A 9 15.467 -6.328 2.281 1.00 0.00 O ATOM 84 CB VAL A 9 16.532 -4.314 0.324 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.613 -3.202 0.809 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.521 -3.788 -0.706 1.00 0.00 C ATOM 0 H VAL A 9 17.906 -6.414 0.141 1.00 0.00 H new ATOM 0 HA VAL A 9 17.934 -4.211 1.961 1.00 0.00 H new ATOM 0 HB VAL A 9 15.918 -5.078 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.095 -2.761 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.882 -3.612 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.203 -2.435 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.977 -3.338 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.163 -3.038 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.133 -4.611 -1.076 1.00 0.00 H new ATOM 96 N ARG A 10 16.288 -4.802 3.717 1.00 0.00 N ATOM 97 CA ARG A 10 15.367 -5.156 4.791 1.00 0.00 C ATOM 98 C ARG A 10 14.214 -4.161 4.868 1.00 0.00 C ATOM 99 O ARG A 10 14.241 -3.111 4.225 1.00 0.00 O ATOM 100 CB ARG A 10 16.106 -5.203 6.130 1.00 0.00 C ATOM 101 CG ARG A 10 16.710 -6.561 6.445 1.00 0.00 C ATOM 102 CD ARG A 10 15.679 -7.503 7.047 1.00 0.00 C ATOM 103 NE ARG A 10 15.436 -7.219 8.459 1.00 0.00 N ATOM 104 CZ ARG A 10 14.447 -7.764 9.158 1.00 0.00 C ATOM 105 NH1 ARG A 10 13.614 -8.618 8.580 1.00 0.00 N ATOM 106 NH2 ARG A 10 14.291 -7.456 10.439 1.00 0.00 N ATOM 0 H ARG A 10 16.938 -4.051 3.949 1.00 0.00 H new ATOM 0 HA ARG A 10 14.958 -6.143 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.899 -4.455 6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.415 -4.929 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.117 -7.000 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.542 -6.438 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.744 -7.418 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.021 -8.532 6.938 1.00 0.00 H new ATOM 0 HE ARG A 10 16.060 -6.567 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.732 -8.858 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.855 -9.035 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.931 -6.800 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.531 -7.875 10.975 1.00 0.00 H new ATOM 120 N PHE A 11 13.201 -4.498 5.660 1.00 0.00 N ATOM 121 CA PHE A 11 12.036 -3.634 5.821 1.00 0.00 C ATOM 122 C PHE A 11 12.123 -2.840 7.121 1.00 0.00 C ATOM 123 O PHE A 11 11.492 -3.191 8.117 1.00 0.00 O ATOM 124 CB PHE A 11 10.752 -4.466 5.803 1.00 0.00 C ATOM 125 CG PHE A 11 10.175 -4.648 4.428 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.512 -3.607 3.797 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.295 -5.859 3.767 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.979 -3.773 2.533 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.765 -6.030 2.502 1.00 0.00 C ATOM 130 CZ PHE A 11 9.107 -4.985 1.884 1.00 0.00 C ATOM 0 H PHE A 11 13.163 -5.362 6.200 1.00 0.00 H new ATOM 0 HA PHE A 11 12.018 -2.932 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.957 -5.446 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.009 -3.986 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.411 -2.656 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.809 -6.680 4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.462 -2.955 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.865 -6.980 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.693 -5.115 0.895 1.00 0.00 H new ATOM 140 N GLN A 12 12.911 -1.770 7.101 1.00 0.00 N ATOM 141 CA GLN A 12 13.082 -0.926 8.279 1.00 0.00 C ATOM 142 C GLN A 12 11.733 -0.449 8.806 1.00 0.00 C ATOM 143 O GLN A 12 11.371 -0.725 9.950 1.00 0.00 O ATOM 144 CB GLN A 12 13.968 0.276 7.947 1.00 0.00 C ATOM 145 CG GLN A 12 14.251 1.171 9.142 1.00 0.00 C ATOM 146 CD GLN A 12 15.237 0.552 10.114 1.00 0.00 C ATOM 147 OE1 GLN A 12 16.009 -0.336 9.752 1.00 0.00 O ATOM 148 NE2 GLN A 12 15.216 1.019 11.357 1.00 0.00 N ATOM 0 H GLN A 12 13.441 -1.467 6.284 1.00 0.00 H new ATOM 0 HA GLN A 12 13.565 -1.520 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.914 -0.082 7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.488 0.867 7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.643 2.126 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.317 1.382 9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.559 1.756 11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.857 0.641 12.055 1.00 0.00 H new ATOM 157 N GLU A 13 10.995 0.270 7.966 1.00 0.00 N ATOM 158 CA GLU A 13 9.686 0.786 8.350 1.00 0.00 C ATOM 159 C GLU A 13 8.614 0.343 7.359 1.00 0.00 C ATOM 160 O GLU A 13 8.029 1.163 6.652 1.00 0.00 O ATOM 161 CB GLU A 13 9.721 2.314 8.431 1.00 0.00 C ATOM 162 CG GLU A 13 10.166 2.842 9.785 1.00 0.00 C ATOM 163 CD GLU A 13 9.162 2.550 10.883 1.00 0.00 C ATOM 164 OE1 GLU A 13 9.221 1.445 11.463 1.00 0.00 O ATOM 165 OE2 GLU A 13 8.318 3.426 11.163 1.00 0.00 O ATOM 0 H GLU A 13 11.281 0.508 7.016 1.00 0.00 H new ATOM 0 HA GLU A 13 9.438 0.382 9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.394 2.695 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.728 2.704 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.126 2.396 10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.322 3.919 9.718 1.00 0.00 H new ATOM 172 N ALA A 14 8.362 -0.961 7.313 1.00 0.00 N ATOM 173 CA ALA A 14 7.360 -1.515 6.411 1.00 0.00 C ATOM 174 C ALA A 14 5.979 -0.939 6.704 1.00 0.00 C ATOM 175 O ALA A 14 5.812 -0.138 7.625 1.00 0.00 O ATOM 176 CB ALA A 14 7.335 -3.032 6.517 1.00 0.00 C ATOM 0 H ALA A 14 8.838 -1.654 7.890 1.00 0.00 H new ATOM 0 HA ALA A 14 7.631 -1.238 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.582 -3.432 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.313 -3.432 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.092 -3.321 7.539 1.00 0.00 H new ATOM 182 N LEU A 15 4.992 -1.350 5.916 1.00 0.00 N ATOM 183 CA LEU A 15 3.624 -0.874 6.092 1.00 0.00 C ATOM 184 C LEU A 15 3.203 -0.954 7.556 1.00 0.00 C ATOM 185 O LEU A 15 3.887 -1.564 8.378 1.00 0.00 O ATOM 186 CB LEU A 15 2.663 -1.694 5.228 1.00 0.00 C ATOM 187 CG LEU A 15 3.025 -1.811 3.747 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.186 -2.887 3.076 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.842 -0.473 3.046 1.00 0.00 C ATOM 0 H LEU A 15 5.113 -2.012 5.149 1.00 0.00 H new ATOM 0 HA LEU A 15 3.586 0.169 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.598 -2.699 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.670 -1.252 5.305 1.00 0.00 H new ATOM 0 HG LEU A 15 4.074 -2.097 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.457 -2.956 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.368 -3.846 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.130 -2.632 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.104 -0.575 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.803 -0.156 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.488 0.272 3.510 1.00 0.00 H new ATOM 201 N LYS A 16 2.072 -0.334 7.875 1.00 0.00 N ATOM 202 CA LYS A 16 1.557 -0.336 9.239 1.00 0.00 C ATOM 203 C LYS A 16 0.043 -0.151 9.249 1.00 0.00 C ATOM 204 O LYS A 16 -0.513 0.541 8.396 1.00 0.00 O ATOM 205 CB LYS A 16 2.223 0.771 10.060 1.00 0.00 C ATOM 206 CG LYS A 16 3.734 0.643 10.141 1.00 0.00 C ATOM 207 CD LYS A 16 4.305 1.485 11.269 1.00 0.00 C ATOM 208 CE LYS A 16 4.569 2.914 10.819 1.00 0.00 C ATOM 209 NZ LYS A 16 3.341 3.753 10.887 1.00 0.00 N ATOM 0 H LYS A 16 1.494 0.176 7.207 1.00 0.00 H new ATOM 0 HA LYS A 16 1.790 -1.302 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.972 1.737 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.811 0.761 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.004 -0.402 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.178 0.952 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.610 1.489 12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.233 1.037 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.345 3.354 11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.949 2.909 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.606 4.743 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.824 3.686 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.733 3.417 11.661 1.00 0.00 H new ATOM 223 N ASP A 17 -0.618 -0.771 10.221 1.00 0.00 N ATOM 224 CA ASP A 17 -2.068 -0.672 10.343 1.00 0.00 C ATOM 225 C ASP A 17 -2.555 0.713 9.926 1.00 0.00 C ATOM 226 O ASP A 17 -1.942 1.726 10.266 1.00 0.00 O ATOM 227 CB ASP A 17 -2.501 -0.968 11.780 1.00 0.00 C ATOM 228 CG ASP A 17 -2.399 0.250 12.677 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.320 0.878 12.706 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.399 0.576 13.350 1.00 0.00 O ATOM 0 H ASP A 17 -0.173 -1.347 10.935 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.516 -1.410 9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.529 -1.330 11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.881 -1.768 12.186 1.00 0.00 H new ATOM 235 N LEU A 18 -3.659 0.748 9.189 1.00 0.00 N ATOM 236 CA LEU A 18 -4.229 2.009 8.724 1.00 0.00 C ATOM 237 C LEU A 18 -5.751 1.934 8.680 1.00 0.00 C ATOM 238 O LEU A 18 -6.322 0.886 8.380 1.00 0.00 O ATOM 239 CB LEU A 18 -3.683 2.358 7.339 1.00 0.00 C ATOM 240 CG LEU A 18 -3.670 1.221 6.316 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.825 1.769 4.906 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.389 0.409 6.437 1.00 0.00 C ATOM 0 H LEU A 18 -4.178 -0.081 8.900 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.943 2.791 9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.275 3.178 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.664 2.727 7.455 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.514 0.563 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.813 0.945 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.771 2.305 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.002 2.450 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.397 -0.395 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.530 1.056 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.321 -0.016 7.439 1.00 0.00 H new ATOM 254 N GLU A 19 -6.402 3.054 8.978 1.00 0.00 N ATOM 255 CA GLU A 19 -7.859 3.115 8.970 1.00 0.00 C ATOM 256 C GLU A 19 -8.347 4.386 8.280 1.00 0.00 C ATOM 257 O GLU A 19 -7.847 5.480 8.543 1.00 0.00 O ATOM 258 CB GLU A 19 -8.402 3.058 10.399 1.00 0.00 C ATOM 259 CG GLU A 19 -9.915 3.171 10.481 1.00 0.00 C ATOM 260 CD GLU A 19 -10.397 3.566 11.864 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.924 2.967 12.851 1.00 0.00 O ATOM 262 OE2 GLU A 19 -11.247 4.476 11.957 1.00 0.00 O ATOM 0 H GLU A 19 -5.944 3.931 9.228 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.230 2.254 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.091 2.120 10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.954 3.863 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.260 3.908 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.362 2.217 10.203 1.00 0.00 H new ATOM 269 N VAL A 20 -9.326 4.233 7.394 1.00 0.00 N ATOM 270 CA VAL A 20 -9.883 5.366 6.665 1.00 0.00 C ATOM 271 C VAL A 20 -11.371 5.172 6.400 1.00 0.00 C ATOM 272 O VAL A 20 -11.852 4.043 6.293 1.00 0.00 O ATOM 273 CB VAL A 20 -9.157 5.582 5.324 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.758 6.762 4.576 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.667 5.786 5.551 1.00 0.00 C ATOM 0 H VAL A 20 -9.750 3.334 7.164 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.741 6.246 7.292 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.288 4.690 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.232 6.900 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.813 6.569 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.660 7.664 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.170 5.937 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.512 6.661 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.250 4.906 6.041 1.00 0.00 H new ATOM 285 N LEU A 21 -12.097 6.280 6.295 1.00 0.00 N ATOM 286 CA LEU A 21 -13.533 6.233 6.042 1.00 0.00 C ATOM 287 C LEU A 21 -13.817 5.946 4.571 1.00 0.00 C ATOM 288 O LEU A 21 -13.192 6.527 3.684 1.00 0.00 O ATOM 289 CB LEU A 21 -14.187 7.553 6.451 1.00 0.00 C ATOM 290 CG LEU A 21 -15.639 7.466 6.922 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.704 6.985 8.363 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.329 8.814 6.776 1.00 0.00 C ATOM 0 H LEU A 21 -11.715 7.222 6.381 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.956 5.425 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.593 7.997 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.142 8.236 5.603 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.162 6.744 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.745 6.929 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.248 5.998 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.165 7.683 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.361 8.733 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.806 9.557 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.314 9.119 5.730 1.00 0.00 H new ATOM 304 N GLU A 22 -14.765 5.048 4.320 1.00 0.00 N ATOM 305 CA GLU A 22 -15.132 4.686 2.956 1.00 0.00 C ATOM 306 C GLU A 22 -15.428 5.930 2.124 1.00 0.00 C ATOM 307 O GLU A 22 -15.802 6.973 2.659 1.00 0.00 O ATOM 308 CB GLU A 22 -16.350 3.760 2.961 1.00 0.00 C ATOM 309 CG GLU A 22 -17.675 4.499 3.053 1.00 0.00 C ATOM 310 CD GLU A 22 -18.867 3.589 2.824 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.731 2.367 3.046 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.934 4.098 2.424 1.00 0.00 O ATOM 0 H GLU A 22 -15.292 4.558 5.043 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.288 4.162 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.342 3.157 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.269 3.071 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.760 4.963 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.690 5.304 2.318 1.00 0.00 H new ATOM 319 N GLY A 23 -15.257 5.812 0.811 1.00 0.00 N ATOM 320 CA GLY A 23 -15.510 6.933 -0.075 1.00 0.00 C ATOM 321 C GLY A 23 -14.239 7.662 -0.463 1.00 0.00 C ATOM 322 O GLY A 23 -14.040 7.999 -1.630 1.00 0.00 O ATOM 0 H GLY A 23 -14.947 4.959 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.010 6.575 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.191 7.631 0.412 1.00 0.00 H new ATOM 326 N GLY A 24 -13.375 7.908 0.517 1.00 0.00 N ATOM 327 CA GLY A 24 -12.129 8.602 0.252 1.00 0.00 C ATOM 328 C GLY A 24 -11.064 7.685 -0.315 1.00 0.00 C ATOM 329 O GLY A 24 -11.363 6.786 -1.101 1.00 0.00 O ATOM 0 H GLY A 24 -13.516 7.639 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.312 9.417 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.763 9.051 1.175 1.00 0.00 H new ATOM 333 N ALA A 25 -9.816 7.911 0.084 1.00 0.00 N ATOM 334 CA ALA A 25 -8.703 7.098 -0.389 1.00 0.00 C ATOM 335 C ALA A 25 -7.770 6.725 0.758 1.00 0.00 C ATOM 336 O ALA A 25 -7.780 7.361 1.811 1.00 0.00 O ATOM 337 CB ALA A 25 -7.937 7.834 -1.478 1.00 0.00 C ATOM 0 H ALA A 25 -9.551 8.651 0.734 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.109 6.177 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.108 7.215 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.604 8.044 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.549 8.771 -1.080 1.00 0.00 H new ATOM 343 N ALA A 26 -6.964 5.690 0.546 1.00 0.00 N ATOM 344 CA ALA A 26 -6.023 5.233 1.562 1.00 0.00 C ATOM 345 C ALA A 26 -4.582 5.432 1.104 1.00 0.00 C ATOM 346 O ALA A 26 -4.237 5.139 -0.041 1.00 0.00 O ATOM 347 CB ALA A 26 -6.276 3.771 1.896 1.00 0.00 C ATOM 0 H ALA A 26 -6.944 5.152 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.177 5.831 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.566 3.443 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.292 3.655 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.151 3.166 0.998 1.00 0.00 H new ATOM 353 N THR A 27 -3.743 5.933 2.006 1.00 0.00 N ATOM 354 CA THR A 27 -2.340 6.173 1.695 1.00 0.00 C ATOM 355 C THR A 27 -1.429 5.322 2.572 1.00 0.00 C ATOM 356 O THR A 27 -1.474 5.410 3.800 1.00 0.00 O ATOM 357 CB THR A 27 -1.970 7.657 1.876 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.851 8.480 1.104 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.531 7.911 1.454 1.00 0.00 C ATOM 0 H THR A 27 -4.012 6.180 2.958 1.00 0.00 H new ATOM 0 HA THR A 27 -2.196 5.896 0.651 1.00 0.00 H new ATOM 0 HB THR A 27 -2.072 7.908 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.610 9.422 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.293 8.966 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.139 7.305 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.407 7.644 0.404 1.00 0.00 H new ATOM 367 N LEU A 28 -0.601 4.500 1.936 1.00 0.00 N ATOM 368 CA LEU A 28 0.322 3.634 2.660 1.00 0.00 C ATOM 369 C LEU A 28 1.752 4.155 2.557 1.00 0.00 C ATOM 370 O LEU A 28 2.234 4.461 1.466 1.00 0.00 O ATOM 371 CB LEU A 28 0.247 2.207 2.115 1.00 0.00 C ATOM 372 CG LEU A 28 -1.103 1.502 2.262 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.066 1.964 1.179 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.924 -0.008 2.211 1.00 0.00 C ATOM 0 H LEU A 28 -0.550 4.415 0.921 1.00 0.00 H new ATOM 0 HA LEU A 28 0.031 3.631 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.509 2.229 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.005 1.607 2.619 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.526 1.765 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.021 1.452 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.218 3.040 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.650 1.731 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.894 -0.493 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.480 -0.290 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.269 -0.324 3.023 1.00 0.00 H new ATOM 386 N ARG A 29 2.425 4.251 3.699 1.00 0.00 N ATOM 387 CA ARG A 29 3.800 4.734 3.737 1.00 0.00 C ATOM 388 C ARG A 29 4.721 3.704 4.385 1.00 0.00 C ATOM 389 O ARG A 29 4.319 2.991 5.306 1.00 0.00 O ATOM 390 CB ARG A 29 3.878 6.057 4.502 1.00 0.00 C ATOM 391 CG ARG A 29 3.696 7.282 3.620 1.00 0.00 C ATOM 392 CD ARG A 29 3.992 8.564 4.381 1.00 0.00 C ATOM 393 NE ARG A 29 3.846 9.748 3.538 1.00 0.00 N ATOM 394 CZ ARG A 29 4.384 10.927 3.826 1.00 0.00 C ATOM 395 NH1 ARG A 29 5.101 11.080 4.932 1.00 0.00 N ATOM 396 NH2 ARG A 29 4.206 11.957 3.009 1.00 0.00 N ATOM 0 H ARG A 29 2.040 4.001 4.610 1.00 0.00 H new ATOM 0 HA ARG A 29 4.130 4.896 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.114 6.063 5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.844 6.121 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.355 7.210 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.675 7.310 3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.319 8.642 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.007 8.524 4.777 1.00 0.00 H new ATOM 0 HE ARG A 29 3.300 9.664 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.240 10.291 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.513 11.987 5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.655 11.844 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.620 12.862 3.232 1.00 0.00 H new ATOM 410 N CYS A 30 5.955 3.632 3.899 1.00 0.00 N ATOM 411 CA CYS A 30 6.932 2.688 4.431 1.00 0.00 C ATOM 412 C CYS A 30 8.318 2.960 3.855 1.00 0.00 C ATOM 413 O CYS A 30 8.475 3.150 2.649 1.00 0.00 O ATOM 414 CB CYS A 30 6.508 1.253 4.117 1.00 0.00 C ATOM 415 SG CYS A 30 6.270 0.921 2.356 1.00 0.00 S ATOM 0 H CYS A 30 6.303 4.215 3.138 1.00 0.00 H new ATOM 0 HA CYS A 30 6.976 2.817 5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.263 0.569 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.579 1.036 4.645 1.00 0.00 H new ATOM 0 HG CYS A 30 5.915 -0.319 2.192 1.00 0.00 H new ATOM 421 N VAL A 31 9.322 2.977 4.727 1.00 0.00 N ATOM 422 CA VAL A 31 10.695 3.226 4.306 1.00 0.00 C ATOM 423 C VAL A 31 11.520 1.944 4.335 1.00 0.00 C ATOM 424 O VAL A 31 11.511 1.210 5.324 1.00 0.00 O ATOM 425 CB VAL A 31 11.374 4.281 5.200 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.814 4.503 4.764 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.593 5.586 5.171 1.00 0.00 C ATOM 0 H VAL A 31 9.210 2.821 5.729 1.00 0.00 H new ATOM 0 HA VAL A 31 10.649 3.602 3.284 1.00 0.00 H new ATOM 0 HB VAL A 31 11.383 3.912 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.278 5.251 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.366 3.566 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.832 4.851 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.087 6.320 5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.551 5.962 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.581 5.412 5.535 1.00 0.00 H new ATOM 437 N LEU A 32 12.233 1.680 3.246 1.00 0.00 N ATOM 438 CA LEU A 32 13.065 0.486 3.146 1.00 0.00 C ATOM 439 C LEU A 32 14.481 0.767 3.639 1.00 0.00 C ATOM 440 O LEU A 32 14.974 1.889 3.534 1.00 0.00 O ATOM 441 CB LEU A 32 13.104 -0.013 1.701 1.00 0.00 C ATOM 442 CG LEU A 32 11.749 -0.296 1.051 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.834 -0.125 -0.457 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.271 -1.697 1.405 1.00 0.00 C ATOM 0 H LEU A 32 12.252 2.277 2.419 1.00 0.00 H new ATOM 0 HA LEU A 32 12.627 -0.287 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.627 0.728 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.697 -0.927 1.669 1.00 0.00 H new ATOM 0 HG LEU A 32 11.025 0.422 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.860 -0.331 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.131 0.897 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.571 -0.819 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.305 -1.882 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.995 -2.429 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.170 -1.784 2.487 1.00 0.00 H new ATOM 456 N SER A 33 15.130 -0.262 4.174 1.00 0.00 N ATOM 457 CA SER A 33 16.490 -0.126 4.684 1.00 0.00 C ATOM 458 C SER A 33 17.333 0.744 3.757 1.00 0.00 C ATOM 459 O SER A 33 18.043 1.643 4.208 1.00 0.00 O ATOM 460 CB SER A 33 17.139 -1.503 4.839 1.00 0.00 C ATOM 461 OG SER A 33 16.873 -2.051 6.119 1.00 0.00 O ATOM 0 H SER A 33 14.737 -1.199 4.266 1.00 0.00 H new ATOM 0 HA SER A 33 16.439 0.356 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.763 -2.175 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.216 -1.420 4.692 1.00 0.00 H new ATOM 0 HG SER A 33 17.711 -2.358 6.524 1.00 0.00 H new ATOM 467 N SER A 34 17.249 0.470 2.459 1.00 0.00 N ATOM 468 CA SER A 34 18.007 1.225 1.468 1.00 0.00 C ATOM 469 C SER A 34 17.189 1.424 0.195 1.00 0.00 C ATOM 470 O SER A 34 16.098 0.872 0.052 1.00 0.00 O ATOM 471 CB SER A 34 19.315 0.504 1.139 1.00 0.00 C ATOM 472 OG SER A 34 20.331 0.840 2.068 1.00 0.00 O ATOM 0 H SER A 34 16.664 -0.269 2.069 1.00 0.00 H new ATOM 0 HA SER A 34 18.236 2.204 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.152 -0.574 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.637 0.769 0.132 1.00 0.00 H new ATOM 0 HG SER A 34 19.922 1.167 2.896 1.00 0.00 H new ATOM 478 N VAL A 35 17.724 2.219 -0.726 1.00 0.00 N ATOM 479 CA VAL A 35 17.046 2.492 -1.988 1.00 0.00 C ATOM 480 C VAL A 35 17.384 1.435 -3.033 1.00 0.00 C ATOM 481 O VAL A 35 18.491 1.411 -3.570 1.00 0.00 O ATOM 482 CB VAL A 35 17.421 3.881 -2.537 1.00 0.00 C ATOM 483 CG1 VAL A 35 16.519 4.255 -3.704 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.344 4.928 -1.436 1.00 0.00 C ATOM 0 H VAL A 35 18.625 2.685 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 35 15.975 2.467 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 35 18.448 3.844 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.799 5.240 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.630 3.519 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.482 4.275 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 17.612 5.903 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.329 4.966 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.036 4.666 -0.635 1.00 0.00 H new ATOM 494 N ALA A 36 16.422 0.563 -3.318 1.00 0.00 N ATOM 495 CA ALA A 36 16.617 -0.495 -4.302 1.00 0.00 C ATOM 496 C ALA A 36 15.472 -0.526 -5.308 1.00 0.00 C ATOM 497 O ALA A 36 15.251 -1.533 -5.980 1.00 0.00 O ATOM 498 CB ALA A 36 16.750 -1.842 -3.608 1.00 0.00 C ATOM 0 H ALA A 36 15.500 0.568 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 36 17.538 -0.287 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.895 -2.623 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.606 -1.821 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.844 -2.049 -3.038 1.00 0.00 H new ATOM 504 N ALA A 37 14.746 0.582 -5.406 1.00 0.00 N ATOM 505 CA ALA A 37 13.624 0.681 -6.331 1.00 0.00 C ATOM 506 C ALA A 37 14.078 0.460 -7.770 1.00 0.00 C ATOM 507 O ALA A 37 15.270 0.466 -8.078 1.00 0.00 O ATOM 508 CB ALA A 37 12.943 2.035 -6.193 1.00 0.00 C ATOM 0 H ALA A 37 14.915 1.424 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 37 12.908 -0.101 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.107 2.095 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.575 2.155 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.658 2.827 -6.416 1.00 0.00 H new ATOM 514 N PRO A 38 13.107 0.259 -8.674 1.00 0.00 N ATOM 515 CA PRO A 38 11.685 0.249 -8.318 1.00 0.00 C ATOM 516 C PRO A 38 11.303 -0.973 -7.491 1.00 0.00 C ATOM 517 O PRO A 38 12.143 -1.823 -7.195 1.00 0.00 O ATOM 518 CB PRO A 38 10.980 0.217 -9.677 1.00 0.00 C ATOM 519 CG PRO A 38 11.968 -0.406 -10.602 1.00 0.00 C ATOM 520 CD PRO A 38 13.323 0.026 -10.111 1.00 0.00 C ATOM 0 HA PRO A 38 11.413 1.105 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.059 -0.364 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.708 1.220 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.878 -1.492 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.802 -0.079 -11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.077 -0.742 -10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.665 0.929 -10.617 1.00 0.00 H new ATOM 528 N VAL A 39 10.029 -1.056 -7.120 1.00 0.00 N ATOM 529 CA VAL A 39 9.535 -2.176 -6.328 1.00 0.00 C ATOM 530 C VAL A 39 8.401 -2.899 -7.045 1.00 0.00 C ATOM 531 O VAL A 39 7.962 -2.481 -8.117 1.00 0.00 O ATOM 532 CB VAL A 39 9.039 -1.710 -4.946 1.00 0.00 C ATOM 533 CG1 VAL A 39 10.177 -1.088 -4.151 1.00 0.00 C ATOM 534 CG2 VAL A 39 7.885 -0.730 -5.097 1.00 0.00 C ATOM 0 H VAL A 39 9.321 -0.361 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 39 10.371 -2.862 -6.194 1.00 0.00 H new ATOM 0 HB VAL A 39 8.678 -2.580 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.807 -0.765 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.969 -1.824 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.572 -0.228 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.547 -0.411 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.217 0.139 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.063 -1.215 -5.623 1.00 0.00 H new ATOM 544 N LYS A 40 7.928 -3.988 -6.447 1.00 0.00 N ATOM 545 CA LYS A 40 6.843 -4.770 -7.027 1.00 0.00 C ATOM 546 C LYS A 40 5.707 -4.950 -6.025 1.00 0.00 C ATOM 547 O LYS A 40 5.879 -5.588 -4.986 1.00 0.00 O ATOM 548 CB LYS A 40 7.359 -6.138 -7.481 1.00 0.00 C ATOM 549 CG LYS A 40 6.286 -7.019 -8.096 1.00 0.00 C ATOM 550 CD LYS A 40 6.866 -7.960 -9.138 1.00 0.00 C ATOM 551 CE LYS A 40 6.070 -9.253 -9.227 1.00 0.00 C ATOM 552 NZ LYS A 40 6.395 -10.183 -8.110 1.00 0.00 N ATOM 0 H LYS A 40 8.280 -4.349 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 40 6.459 -4.228 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.158 -5.993 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.795 -6.654 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.797 -7.599 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.520 -6.394 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.872 -7.468 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.903 -8.186 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.004 -9.025 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.277 -9.742 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.832 -11.052 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.407 -10.421 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.173 -9.726 -7.202 1.00 0.00 H new ATOM 566 N TRP A 41 4.548 -4.387 -6.346 1.00 0.00 N ATOM 567 CA TRP A 41 3.383 -4.488 -5.474 1.00 0.00 C ATOM 568 C TRP A 41 2.555 -5.723 -5.811 1.00 0.00 C ATOM 569 O TRP A 41 2.686 -6.292 -6.895 1.00 0.00 O ATOM 570 CB TRP A 41 2.519 -3.231 -5.596 1.00 0.00 C ATOM 571 CG TRP A 41 3.069 -2.057 -4.845 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.054 -1.206 -5.262 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.668 -1.604 -3.548 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.288 -0.253 -4.301 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.451 -0.474 -3.240 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.723 -2.043 -2.616 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.316 0.220 -2.040 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.591 -1.353 -1.426 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.383 -0.231 -1.147 1.00 0.00 C ATOM 0 H TRP A 41 4.390 -3.856 -7.203 1.00 0.00 H new ATOM 0 HA TRP A 41 3.736 -4.580 -4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.422 -2.966 -6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.517 -3.451 -5.229 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.572 -1.273 -6.207 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.975 0.498 -4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.107 -2.906 -2.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.926 1.084 -1.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.865 -1.684 -0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.254 0.288 -0.209 1.00 0.00 H new ATOM 590 N CYS A 42 1.705 -6.133 -4.876 1.00 0.00 N ATOM 591 CA CYS A 42 0.856 -7.303 -5.075 1.00 0.00 C ATOM 592 C CYS A 42 -0.403 -7.213 -4.219 1.00 0.00 C ATOM 593 O CYS A 42 -0.336 -6.904 -3.029 1.00 0.00 O ATOM 594 CB CYS A 42 1.626 -8.580 -4.738 1.00 0.00 C ATOM 595 SG CYS A 42 2.235 -8.649 -3.037 1.00 0.00 S ATOM 0 H CYS A 42 1.585 -5.673 -3.973 1.00 0.00 H new ATOM 0 HA CYS A 42 0.559 -7.332 -6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.979 -9.439 -4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.472 -8.672 -5.419 1.00 0.00 H new ATOM 0 HG CYS A 42 1.949 -7.537 -2.428 1.00 0.00 H new ATOM 601 N TYR A 43 -1.549 -7.482 -4.833 1.00 0.00 N ATOM 602 CA TYR A 43 -2.825 -7.427 -4.128 1.00 0.00 C ATOM 603 C TYR A 43 -3.815 -8.429 -4.715 1.00 0.00 C ATOM 604 O TYR A 43 -3.978 -8.518 -5.931 1.00 0.00 O ATOM 605 CB TYR A 43 -3.409 -6.015 -4.197 1.00 0.00 C ATOM 606 CG TYR A 43 -4.912 -5.973 -4.032 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.755 -6.270 -5.096 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.488 -5.636 -2.814 1.00 0.00 C ATOM 609 CE1 TYR A 43 -7.128 -6.232 -4.950 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.860 -5.598 -2.659 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.676 -5.896 -3.730 1.00 0.00 C ATOM 612 OH TYR A 43 -9.043 -5.857 -3.580 1.00 0.00 O ATOM 0 H TYR A 43 -1.621 -7.740 -5.817 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.647 -7.688 -3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.949 -5.402 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.144 -5.568 -5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.330 -6.535 -6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.852 -5.400 -1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.769 -6.464 -5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.291 -5.336 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.264 -5.604 -2.659 1.00 0.00 H new ATOM 622 N GLY A 44 -4.475 -9.181 -3.839 1.00 0.00 N ATOM 623 CA GLY A 44 -5.441 -10.166 -4.288 1.00 0.00 C ATOM 624 C GLY A 44 -4.983 -10.905 -5.530 1.00 0.00 C ATOM 625 O GLY A 44 -5.790 -11.233 -6.399 1.00 0.00 O ATOM 0 H GLY A 44 -4.358 -9.125 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.621 -10.884 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.391 -9.672 -4.493 1.00 0.00 H new ATOM 629 N ASN A 45 -3.682 -11.165 -5.615 1.00 0.00 N ATOM 630 CA ASN A 45 -3.117 -11.867 -6.762 1.00 0.00 C ATOM 631 C ASN A 45 -3.200 -11.009 -8.021 1.00 0.00 C ATOM 632 O ASN A 45 -3.707 -11.449 -9.051 1.00 0.00 O ATOM 633 CB ASN A 45 -3.848 -13.193 -6.986 1.00 0.00 C ATOM 634 CG ASN A 45 -3.050 -14.156 -7.843 1.00 0.00 C ATOM 635 OD1 ASN A 45 -3.308 -14.301 -9.038 1.00 0.00 O ATOM 636 ND2 ASN A 45 -2.074 -14.820 -7.235 1.00 0.00 N ATOM 0 H ASN A 45 -3.000 -10.900 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.067 -12.069 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.057 -13.657 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.809 -12.999 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.503 -15.482 -7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.895 -14.668 -6.242 1.00 0.00 H new ATOM 643 N ASN A 46 -2.698 -9.782 -7.928 1.00 0.00 N ATOM 644 CA ASN A 46 -2.715 -8.862 -9.059 1.00 0.00 C ATOM 645 C ASN A 46 -1.556 -7.873 -8.973 1.00 0.00 C ATOM 646 O ASN A 46 -0.971 -7.677 -7.908 1.00 0.00 O ATOM 647 CB ASN A 46 -4.043 -8.105 -9.107 1.00 0.00 C ATOM 648 CG ASN A 46 -5.223 -9.023 -9.358 1.00 0.00 C ATOM 649 OD1 ASN A 46 -5.402 -9.536 -10.462 1.00 0.00 O ATOM 650 ND2 ASN A 46 -6.037 -9.235 -8.329 1.00 0.00 N ATOM 0 H ASN A 46 -2.275 -9.402 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.604 -9.446 -9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.191 -7.577 -8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.000 -7.350 -9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.848 -9.844 -8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.851 -8.789 -7.431 1.00 0.00 H new ATOM 657 N VAL A 47 -1.230 -7.252 -10.102 1.00 0.00 N ATOM 658 CA VAL A 47 -0.143 -6.282 -10.155 1.00 0.00 C ATOM 659 C VAL A 47 -0.678 -4.855 -10.135 1.00 0.00 C ATOM 660 O VAL A 47 -1.474 -4.466 -10.990 1.00 0.00 O ATOM 661 CB VAL A 47 0.722 -6.476 -11.415 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.886 -5.498 -11.420 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.221 -7.911 -11.502 1.00 0.00 C ATOM 0 H VAL A 47 -1.703 -7.404 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 47 0.473 -6.449 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 47 0.106 -6.275 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.485 -5.650 -12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.504 -4.477 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.505 -5.664 -10.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.830 -8.031 -12.398 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.821 -8.142 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.370 -8.590 -11.549 1.00 0.00 H new ATOM 673 N LEU A 48 -0.235 -4.077 -9.153 1.00 0.00 N ATOM 674 CA LEU A 48 -0.669 -2.691 -9.021 1.00 0.00 C ATOM 675 C LEU A 48 0.323 -1.743 -9.688 1.00 0.00 C ATOM 676 O LEU A 48 1.492 -1.685 -9.307 1.00 0.00 O ATOM 677 CB LEU A 48 -0.828 -2.324 -7.544 1.00 0.00 C ATOM 678 CG LEU A 48 -1.657 -3.290 -6.698 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.495 -2.978 -5.218 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.124 -3.228 -7.100 1.00 0.00 C ATOM 0 H LEU A 48 0.424 -4.383 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.632 -2.589 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.165 -2.245 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.284 -1.336 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.294 -4.302 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.092 -3.676 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.446 -3.075 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.830 -1.960 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.699 -3.922 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.500 -2.216 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.225 -3.502 -8.150 1.00 0.00 H new ATOM 692 N ARG A 49 -0.152 -1.002 -10.683 1.00 0.00 N ATOM 693 CA ARG A 49 0.693 -0.056 -11.402 1.00 0.00 C ATOM 694 C ARG A 49 0.127 1.358 -11.310 1.00 0.00 C ATOM 695 O ARG A 49 -1.076 1.562 -11.147 1.00 0.00 O ATOM 696 CB ARG A 49 0.823 -0.470 -12.869 1.00 0.00 C ATOM 697 CG ARG A 49 1.568 -1.780 -13.068 1.00 0.00 C ATOM 698 CD ARG A 49 3.066 -1.556 -13.201 1.00 0.00 C ATOM 699 NE ARG A 49 3.416 -0.936 -14.476 1.00 0.00 N ATOM 700 CZ ARG A 49 4.661 -0.830 -14.925 1.00 0.00 C ATOM 701 NH1 ARG A 49 5.671 -1.302 -14.206 1.00 0.00 N ATOM 702 NH2 ARG A 49 4.900 -0.253 -16.096 1.00 0.00 N ATOM 0 H ARG A 49 -1.118 -1.038 -11.010 1.00 0.00 H new ATOM 0 HA ARG A 49 1.680 -0.064 -10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.173 -0.559 -13.302 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.339 0.319 -13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.372 -2.443 -12.225 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.193 -2.281 -13.961 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.412 -0.923 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.585 -2.510 -13.107 1.00 0.00 H new ATOM 0 HE ARG A 49 2.662 -0.564 -15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.492 -1.748 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.627 -1.219 -14.553 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.126 0.110 -16.653 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.857 -0.173 -16.439 1.00 0.00 H new ATOM 716 N PRO A 50 1.014 2.358 -11.417 1.00 0.00 N ATOM 717 CA PRO A 50 0.626 3.770 -11.348 1.00 0.00 C ATOM 718 C PRO A 50 -0.168 4.213 -12.572 1.00 0.00 C ATOM 719 O PRO A 50 0.118 3.797 -13.694 1.00 0.00 O ATOM 720 CB PRO A 50 1.968 4.504 -11.287 1.00 0.00 C ATOM 721 CG PRO A 50 2.936 3.578 -11.939 1.00 0.00 C ATOM 722 CD PRO A 50 2.463 2.188 -11.612 1.00 0.00 C ATOM 0 HA PRO A 50 -0.025 3.973 -10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.921 5.459 -11.809 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.256 4.717 -10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.963 3.738 -13.017 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.947 3.744 -11.566 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.681 1.489 -12.420 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.946 1.800 -10.716 1.00 0.00 H new ATOM 730 N GLY A 51 -1.168 5.061 -12.349 1.00 0.00 N ATOM 731 CA GLY A 51 -1.988 5.547 -13.443 1.00 0.00 C ATOM 732 C GLY A 51 -3.124 6.430 -12.969 1.00 0.00 C ATOM 733 O GLY A 51 -2.896 7.453 -12.322 1.00 0.00 O ATOM 0 H GLY A 51 -1.425 5.420 -11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.364 6.106 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.396 4.698 -13.992 1.00 0.00 H new ATOM 737 N ASP A 52 -4.352 6.037 -13.291 1.00 0.00 N ATOM 738 CA ASP A 52 -5.528 6.801 -12.894 1.00 0.00 C ATOM 739 C ASP A 52 -6.145 6.228 -11.622 1.00 0.00 C ATOM 740 O ASP A 52 -6.234 6.909 -10.601 1.00 0.00 O ATOM 741 CB ASP A 52 -6.564 6.806 -14.020 1.00 0.00 C ATOM 742 CG ASP A 52 -7.770 7.664 -13.694 1.00 0.00 C ATOM 743 OD1 ASP A 52 -8.618 7.215 -12.895 1.00 0.00 O ATOM 744 OD2 ASP A 52 -7.866 8.784 -14.238 1.00 0.00 O ATOM 0 H ASP A 52 -4.558 5.193 -13.826 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.214 7.826 -12.695 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.099 7.171 -14.936 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.891 5.784 -14.214 1.00 0.00 H new ATOM 749 N LYS A 53 -6.570 4.971 -11.691 1.00 0.00 N ATOM 750 CA LYS A 53 -7.178 4.304 -10.546 1.00 0.00 C ATOM 751 C LYS A 53 -6.184 4.183 -9.396 1.00 0.00 C ATOM 752 O LYS A 53 -6.519 4.452 -8.242 1.00 0.00 O ATOM 753 CB LYS A 53 -7.682 2.916 -10.947 1.00 0.00 C ATOM 754 CG LYS A 53 -8.475 2.218 -9.855 1.00 0.00 C ATOM 755 CD LYS A 53 -9.882 2.782 -9.741 1.00 0.00 C ATOM 756 CE LYS A 53 -10.532 2.396 -8.421 1.00 0.00 C ATOM 757 NZ LYS A 53 -12.013 2.303 -8.538 1.00 0.00 N ATOM 0 H LYS A 53 -6.504 4.393 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.022 4.908 -10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.307 3.008 -11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.830 2.294 -11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.526 1.150 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.959 2.329 -8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.848 3.868 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.490 2.416 -10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.133 1.438 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.273 3.132 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.440 3.215 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.270 2.068 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.366 1.561 -7.900 1.00 0.00 H new ATOM 771 N TYR A 54 -4.960 3.778 -9.718 1.00 0.00 N ATOM 772 CA TYR A 54 -3.917 3.621 -8.711 1.00 0.00 C ATOM 773 C TYR A 54 -2.774 4.602 -8.953 1.00 0.00 C ATOM 774 O TYR A 54 -2.623 5.138 -10.050 1.00 0.00 O ATOM 775 CB TYR A 54 -3.384 2.187 -8.718 1.00 0.00 C ATOM 776 CG TYR A 54 -4.354 1.178 -8.147 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.740 1.234 -6.813 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.884 0.168 -8.940 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.625 0.313 -6.286 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.771 -0.756 -8.422 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.138 -0.679 -7.095 1.00 0.00 C ATOM 782 OH TYR A 54 -7.020 -1.599 -6.575 1.00 0.00 O ATOM 0 H TYR A 54 -4.666 3.553 -10.668 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.354 3.834 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.139 1.904 -9.742 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.456 2.150 -8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.341 2.011 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.598 0.104 -9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.913 0.370 -5.247 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.175 -1.534 -9.053 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.287 -2.229 -7.277 1.00 0.00 H new ATOM 792 N SER A 55 -1.971 4.830 -7.919 1.00 0.00 N ATOM 793 CA SER A 55 -0.842 5.749 -8.016 1.00 0.00 C ATOM 794 C SER A 55 0.344 5.241 -7.202 1.00 0.00 C ATOM 795 O SER A 55 0.179 4.748 -6.085 1.00 0.00 O ATOM 796 CB SER A 55 -1.248 7.142 -7.532 1.00 0.00 C ATOM 797 OG SER A 55 -1.752 7.926 -8.600 1.00 0.00 O ATOM 0 H SER A 55 -2.081 4.391 -7.005 1.00 0.00 H new ATOM 0 HA SER A 55 -0.543 5.809 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.005 7.053 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.388 7.640 -7.085 1.00 0.00 H new ATOM 0 HG SER A 55 -2.113 7.338 -9.295 1.00 0.00 H new ATOM 803 N LEU A 56 1.539 5.364 -7.768 1.00 0.00 N ATOM 804 CA LEU A 56 2.754 4.917 -7.096 1.00 0.00 C ATOM 805 C LEU A 56 3.901 5.893 -7.340 1.00 0.00 C ATOM 806 O LEU A 56 4.215 6.224 -8.483 1.00 0.00 O ATOM 807 CB LEU A 56 3.146 3.521 -7.582 1.00 0.00 C ATOM 808 CG LEU A 56 2.242 2.374 -7.129 1.00 0.00 C ATOM 809 CD1 LEU A 56 0.995 2.302 -7.997 1.00 0.00 C ATOM 810 CD2 LEU A 56 2.997 1.053 -7.165 1.00 0.00 C ATOM 0 H LEU A 56 1.693 5.770 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 56 2.554 4.879 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.169 3.531 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.161 3.312 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 56 1.933 2.565 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.364 1.480 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.443 3.239 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.283 2.136 -9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.338 0.248 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.336 0.855 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.858 1.108 -6.499 1.00 0.00 H new ATOM 822 N ARG A 57 4.523 6.349 -6.257 1.00 0.00 N ATOM 823 CA ARG A 57 5.636 7.286 -6.353 1.00 0.00 C ATOM 824 C ARG A 57 6.760 6.894 -5.400 1.00 0.00 C ATOM 825 O ARG A 57 6.523 6.629 -4.222 1.00 0.00 O ATOM 826 CB ARG A 57 5.162 8.707 -6.043 1.00 0.00 C ATOM 827 CG ARG A 57 6.155 9.783 -6.449 1.00 0.00 C ATOM 828 CD ARG A 57 6.268 9.895 -7.962 1.00 0.00 C ATOM 829 NE ARG A 57 7.177 10.964 -8.365 1.00 0.00 N ATOM 830 CZ ARG A 57 7.588 11.148 -9.615 1.00 0.00 C ATOM 831 NH1 ARG A 57 7.172 10.337 -10.578 1.00 0.00 N ATOM 832 NH2 ARG A 57 8.415 12.144 -9.904 1.00 0.00 N ATOM 0 H ARG A 57 4.275 6.085 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 57 6.020 7.253 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.217 8.885 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.966 8.790 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.844 10.742 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.133 9.555 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.619 8.947 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.281 10.079 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 57 7.515 11.605 -7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.535 9.570 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.488 10.480 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.737 12.770 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.729 12.284 -10.864 1.00 0.00 H new ATOM 846 N GLN A 58 7.984 6.860 -5.918 1.00 0.00 N ATOM 847 CA GLN A 58 9.144 6.499 -5.113 1.00 0.00 C ATOM 848 C GLN A 58 9.925 7.741 -4.696 1.00 0.00 C ATOM 849 O GLN A 58 10.255 8.586 -5.528 1.00 0.00 O ATOM 850 CB GLN A 58 10.055 5.546 -5.890 1.00 0.00 C ATOM 851 CG GLN A 58 11.152 4.926 -5.041 1.00 0.00 C ATOM 852 CD GLN A 58 10.712 3.641 -4.366 1.00 0.00 C ATOM 853 OE1 GLN A 58 9.913 2.881 -4.913 1.00 0.00 O ATOM 854 NE2 GLN A 58 11.234 3.392 -3.170 1.00 0.00 N ATOM 0 H GLN A 58 8.197 7.078 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 58 8.788 5.997 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.449 4.750 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.511 6.087 -6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.021 4.724 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.467 5.642 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.893 4.050 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.976 2.543 -2.668 1.00 0.00 H new ATOM 863 N GLU A 59 10.217 7.844 -3.403 1.00 0.00 N ATOM 864 CA GLU A 59 10.958 8.984 -2.877 1.00 0.00 C ATOM 865 C GLU A 59 12.139 8.521 -2.028 1.00 0.00 C ATOM 866 O GLU A 59 12.057 8.482 -0.801 1.00 0.00 O ATOM 867 CB GLU A 59 10.038 9.879 -2.045 1.00 0.00 C ATOM 868 CG GLU A 59 10.748 11.067 -1.418 1.00 0.00 C ATOM 869 CD GLU A 59 9.783 12.106 -0.878 1.00 0.00 C ATOM 870 OE1 GLU A 59 8.721 12.308 -1.503 1.00 0.00 O ATOM 871 OE2 GLU A 59 10.090 12.715 0.167 1.00 0.00 O ATOM 0 H GLU A 59 9.952 7.153 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 59 11.342 9.556 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.229 10.243 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.581 9.282 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.389 10.717 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.397 11.531 -2.161 1.00 0.00 H new ATOM 878 N GLY A 60 13.236 8.169 -2.691 1.00 0.00 N ATOM 879 CA GLY A 60 14.417 7.712 -1.982 1.00 0.00 C ATOM 880 C GLY A 60 14.083 6.751 -0.859 1.00 0.00 C ATOM 881 O GLY A 60 13.893 7.165 0.285 1.00 0.00 O ATOM 0 H GLY A 60 13.328 8.192 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.093 7.224 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.948 8.572 -1.574 1.00 0.00 H new ATOM 885 N ALA A 61 14.011 5.465 -1.184 1.00 0.00 N ATOM 886 CA ALA A 61 13.698 4.443 -0.193 1.00 0.00 C ATOM 887 C ALA A 61 12.368 4.733 0.494 1.00 0.00 C ATOM 888 O ALA A 61 12.246 4.600 1.711 1.00 0.00 O ATOM 889 CB ALA A 61 14.815 4.345 0.835 1.00 0.00 C ATOM 0 H ALA A 61 14.165 5.106 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 61 13.609 3.487 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.568 3.578 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.747 4.082 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.931 5.305 1.338 1.00 0.00 H new ATOM 895 N MET A 62 11.374 5.131 -0.294 1.00 0.00 N ATOM 896 CA MET A 62 10.053 5.440 0.240 1.00 0.00 C ATOM 897 C MET A 62 8.964 5.096 -0.770 1.00 0.00 C ATOM 898 O MET A 62 9.106 5.359 -1.965 1.00 0.00 O ATOM 899 CB MET A 62 9.965 6.920 0.618 1.00 0.00 C ATOM 900 CG MET A 62 8.731 7.267 1.434 1.00 0.00 C ATOM 901 SD MET A 62 8.263 9.002 1.283 1.00 0.00 S ATOM 902 CE MET A 62 7.732 9.356 2.957 1.00 0.00 C ATOM 0 H MET A 62 11.459 5.247 -1.304 1.00 0.00 H new ATOM 0 HA MET A 62 9.900 4.835 1.133 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.854 7.195 1.185 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.969 7.520 -0.292 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.899 6.641 1.111 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.917 7.035 2.483 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.411 10.396 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.901 8.702 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.560 9.186 3.645 1.00 0.00 H new ATOM 912 N LEU A 63 7.877 4.506 -0.284 1.00 0.00 N ATOM 913 CA LEU A 63 6.764 4.125 -1.146 1.00 0.00 C ATOM 914 C LEU A 63 5.495 4.880 -0.762 1.00 0.00 C ATOM 915 O LEU A 63 5.347 5.326 0.375 1.00 0.00 O ATOM 916 CB LEU A 63 6.519 2.617 -1.060 1.00 0.00 C ATOM 917 CG LEU A 63 7.642 1.724 -1.589 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.058 2.160 -2.985 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.834 1.748 -0.643 1.00 0.00 C ATOM 0 H LEU A 63 7.743 4.281 0.702 1.00 0.00 H new ATOM 0 HA LEU A 63 7.025 4.387 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.336 2.358 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.607 2.385 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 63 7.270 0.701 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.858 1.513 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.204 2.089 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.411 3.191 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.623 1.107 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.207 2.768 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.527 1.386 0.338 1.00 0.00 H new ATOM 931 N GLU A 64 4.582 5.018 -1.719 1.00 0.00 N ATOM 932 CA GLU A 64 3.326 5.718 -1.479 1.00 0.00 C ATOM 933 C GLU A 64 2.256 5.270 -2.471 1.00 0.00 C ATOM 934 O GLU A 64 2.319 5.593 -3.658 1.00 0.00 O ATOM 935 CB GLU A 64 3.531 7.230 -1.583 1.00 0.00 C ATOM 936 CG GLU A 64 2.293 8.038 -1.234 1.00 0.00 C ATOM 937 CD GLU A 64 2.226 9.356 -1.980 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.212 10.121 -1.924 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.188 9.623 -2.620 1.00 0.00 O ATOM 0 H GLU A 64 4.689 4.655 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 64 2.990 5.473 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.345 7.524 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.841 7.477 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.404 7.450 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.280 8.231 -0.161 1.00 0.00 H new ATOM 946 N LEU A 65 1.275 4.523 -1.976 1.00 0.00 N ATOM 947 CA LEU A 65 0.190 4.029 -2.818 1.00 0.00 C ATOM 948 C LEU A 65 -1.133 4.688 -2.443 1.00 0.00 C ATOM 949 O LEU A 65 -1.519 4.709 -1.274 1.00 0.00 O ATOM 950 CB LEU A 65 0.071 2.510 -2.691 1.00 0.00 C ATOM 951 CG LEU A 65 -0.987 1.843 -3.572 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.406 1.499 -4.934 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.537 0.597 -2.894 1.00 0.00 C ATOM 0 H LEU A 65 1.208 4.246 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 65 0.421 4.283 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.040 2.069 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.147 2.268 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.808 2.545 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.172 1.025 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.061 2.410 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.433 0.815 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.288 0.136 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.726 -0.110 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.991 0.871 -1.942 1.00 0.00 H new ATOM 965 N VAL A 66 -1.826 5.224 -3.443 1.00 0.00 N ATOM 966 CA VAL A 66 -3.108 5.881 -3.219 1.00 0.00 C ATOM 967 C VAL A 66 -4.241 5.122 -3.902 1.00 0.00 C ATOM 968 O VAL A 66 -4.237 4.943 -5.120 1.00 0.00 O ATOM 969 CB VAL A 66 -3.093 7.332 -3.735 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.448 7.990 -3.519 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.990 8.128 -3.053 1.00 0.00 C ATOM 0 H VAL A 66 -1.521 5.216 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.276 5.888 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.890 7.317 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.418 9.015 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.214 7.431 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.684 7.996 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.994 9.151 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.160 8.137 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.025 7.667 -3.264 1.00 0.00 H new ATOM 981 N VAL A 67 -5.211 4.679 -3.109 1.00 0.00 N ATOM 982 CA VAL A 67 -6.352 3.941 -3.637 1.00 0.00 C ATOM 983 C VAL A 67 -7.648 4.723 -3.448 1.00 0.00 C ATOM 984 O VAL A 67 -8.084 4.957 -2.321 1.00 0.00 O ATOM 985 CB VAL A 67 -6.493 2.565 -2.959 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.685 1.809 -3.526 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.213 1.758 -3.123 1.00 0.00 C ATOM 0 H VAL A 67 -5.230 4.818 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.170 3.797 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.665 2.720 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.768 0.840 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.595 2.383 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.547 1.662 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.329 0.789 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.009 1.611 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.383 2.295 -2.665 1.00 0.00 H new ATOM 997 N ARG A 68 -8.258 5.123 -4.559 1.00 0.00 N ATOM 998 CA ARG A 68 -9.504 5.879 -4.516 1.00 0.00 C ATOM 999 C ARG A 68 -10.708 4.942 -4.490 1.00 0.00 C ATOM 1000 O ARG A 68 -10.567 3.730 -4.644 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.599 6.815 -5.721 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.670 8.015 -5.635 1.00 0.00 C ATOM 1003 CD ARG A 68 -9.146 9.015 -4.593 1.00 0.00 C ATOM 1004 NE ARG A 68 -8.228 10.142 -4.455 1.00 0.00 N ATOM 1005 CZ ARG A 68 -8.111 11.110 -5.357 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.851 11.088 -6.456 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -7.252 12.102 -5.160 1.00 0.00 N ATOM 0 H ARG A 68 -7.910 4.936 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.508 6.473 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.369 6.253 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.626 7.167 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.663 7.680 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.612 8.502 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.134 9.384 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.251 8.513 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.644 10.189 -3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.512 10.327 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.760 11.832 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.681 12.122 -4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.163 12.845 -5.853 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.892 5.514 -4.293 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.121 4.729 -4.246 1.00 0.00 C ATOM 1023 C ASN A 69 -13.050 3.673 -3.148 1.00 0.00 C ATOM 1024 O ASN A 69 -13.260 2.485 -3.399 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.375 4.060 -5.598 1.00 0.00 C ATOM 1026 CG ASN A 69 -14.751 3.427 -5.680 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.680 3.843 -4.988 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.886 2.414 -6.528 1.00 0.00 N ATOM 0 H ASN A 69 -12.026 6.517 -4.164 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.946 5.405 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.270 4.800 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.616 3.297 -5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.788 1.947 -6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.088 2.103 -7.082 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.753 4.112 -1.930 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.655 3.205 -0.792 1.00 0.00 C ATOM 1037 C LEU A 70 -13.973 2.471 -0.565 1.00 0.00 C ATOM 1038 O LEU A 70 -15.049 3.018 -0.809 1.00 0.00 O ATOM 1039 CB LEU A 70 -12.264 3.977 0.469 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.770 4.239 0.661 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.535 5.128 1.872 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -10.013 2.926 0.805 1.00 0.00 C ATOM 0 H LEU A 70 -12.576 5.091 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.883 2.468 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.782 4.936 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.630 3.426 1.336 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.395 4.757 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.466 5.303 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.045 6.081 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.925 4.638 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.951 3.131 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.391 2.381 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.154 2.324 -0.093 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.881 1.231 -0.096 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.066 0.423 0.164 1.00 0.00 C ATOM 1056 C ARG A 71 -14.845 -0.495 1.363 1.00 0.00 C ATOM 1057 O ARG A 71 -13.748 -1.006 1.591 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.423 -0.409 -1.069 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.605 0.420 -2.330 1.00 0.00 C ATOM 1060 CD ARG A 71 -16.895 1.223 -2.287 1.00 0.00 C ATOM 1061 NE ARG A 71 -18.023 0.480 -2.843 1.00 0.00 N ATOM 1062 CZ ARG A 71 -18.277 0.395 -4.144 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -17.489 1.005 -5.019 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -19.323 -0.301 -4.573 1.00 0.00 N ATOM 0 H ARG A 71 -12.998 0.764 0.112 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.892 1.097 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.639 -1.146 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.342 -0.961 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.758 1.096 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.612 -0.236 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.116 1.499 -1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.763 2.151 -2.844 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.650 0.000 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.685 1.542 -4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.687 0.938 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.932 -0.771 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.517 -0.366 -5.572 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.911 -0.709 2.149 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.859 -1.565 3.338 1.00 0.00 C ATOM 1080 C PRO A 72 -15.701 -3.040 2.983 1.00 0.00 C ATOM 1081 O PRO A 72 -15.555 -3.886 3.865 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.211 -1.318 4.012 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.113 -0.890 2.907 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.249 -0.131 1.937 1.00 0.00 C ATOM 0 HA PRO A 72 -15.003 -1.332 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.582 -2.220 4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.135 -0.549 4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.576 -1.751 2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.921 -0.263 3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.586 -0.264 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.261 0.940 2.140 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.732 -3.339 1.689 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.592 -4.712 1.219 1.00 0.00 C ATOM 1094 C GLN A 73 -14.216 -4.940 0.604 1.00 0.00 C ATOM 1095 O GLN A 73 -13.923 -6.024 0.098 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.682 -5.037 0.196 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.922 -3.923 -0.810 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.014 -2.967 -0.372 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.587 -3.113 0.708 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.308 -1.979 -1.210 1.00 0.00 N ATOM 0 H GLN A 73 -15.853 -2.649 0.947 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.700 -5.375 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.407 -5.946 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.613 -5.246 0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.996 -3.367 -0.959 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -17.190 -4.359 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.808 -1.895 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.034 -1.304 -0.968 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.375 -3.912 0.649 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.029 -4.001 0.097 1.00 0.00 C ATOM 1111 C ASP A 74 -11.035 -4.465 1.157 1.00 0.00 C ATOM 1112 O ASP A 74 -10.043 -5.124 0.846 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.596 -2.646 -0.467 1.00 0.00 C ATOM 1114 CG ASP A 74 -12.090 -2.424 -1.884 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -12.141 -3.405 -2.655 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -12.426 -1.270 -2.220 1.00 0.00 O ATOM 0 H ASP A 74 -13.602 -3.008 1.062 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.042 -4.735 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.974 -1.851 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.508 -2.579 -0.450 1.00 0.00 H new ATOM 1121 N SER A 75 -11.308 -4.115 2.410 1.00 0.00 N ATOM 1122 CA SER A 75 -10.436 -4.491 3.516 1.00 0.00 C ATOM 1123 C SER A 75 -9.905 -5.910 3.331 1.00 0.00 C ATOM 1124 O SER A 75 -10.598 -6.886 3.613 1.00 0.00 O ATOM 1125 CB SER A 75 -11.187 -4.386 4.845 1.00 0.00 C ATOM 1126 OG SER A 75 -11.578 -3.049 5.105 1.00 0.00 O ATOM 0 H SER A 75 -12.126 -3.572 2.684 1.00 0.00 H new ATOM 0 HA SER A 75 -9.591 -3.803 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.068 -5.028 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.552 -4.747 5.655 1.00 0.00 H new ATOM 0 HG SER A 75 -10.828 -2.561 5.504 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.668 -6.014 2.853 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.064 -7.316 2.638 1.00 0.00 C ATOM 1134 C GLY A 76 -6.647 -7.393 3.173 1.00 0.00 C ATOM 1135 O GLY A 76 -6.352 -6.863 4.244 1.00 0.00 O ATOM 0 H GLY A 76 -8.074 -5.221 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.673 -8.080 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.059 -7.539 1.571 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.770 -8.056 2.426 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.378 -8.204 2.833 1.00 0.00 C ATOM 1141 C ARG A 77 -3.441 -7.576 1.805 1.00 0.00 C ATOM 1142 O ARG A 77 -3.158 -8.171 0.764 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.032 -9.682 3.019 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.677 -9.914 3.665 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.399 -11.397 3.861 1.00 0.00 C ATOM 1146 NE ARG A 77 -1.338 -11.631 4.836 1.00 0.00 N ATOM 1147 CZ ARG A 77 -0.898 -12.840 5.167 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.424 -13.918 4.603 1.00 0.00 N ATOM 1149 NH2 ARG A 77 0.071 -12.972 6.064 1.00 0.00 N ATOM 0 H ARG A 77 -5.999 -8.499 1.536 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.247 -7.686 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.802 -10.152 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.051 -10.176 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.897 -9.476 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.640 -9.405 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.310 -11.896 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.119 -11.842 2.906 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.911 -10.822 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.169 -13.821 3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.084 -14.845 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.479 -12.145 6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.408 -13.901 6.318 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.964 -6.373 2.103 1.00 0.00 N ATOM 1164 CA TYR A 78 -2.062 -5.664 1.203 1.00 0.00 C ATOM 1165 C TYR A 78 -0.606 -5.929 1.571 1.00 0.00 C ATOM 1166 O TYR A 78 -0.102 -5.412 2.568 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.345 -4.161 1.244 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.593 -3.759 0.492 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.848 -3.871 1.078 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.518 -3.266 -0.805 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.991 -3.505 0.394 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.655 -2.897 -1.496 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.890 -3.018 -0.893 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.026 -2.652 -1.577 1.00 0.00 O ATOM 0 H TYR A 78 -3.187 -5.868 2.961 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.235 -6.032 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.440 -3.846 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.491 -3.628 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.931 -4.251 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.553 -3.170 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.959 -3.600 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.578 -2.516 -2.503 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.331 -3.402 -2.129 1.00 0.00 H new ATOM 1184 N SER A 79 0.065 -6.740 0.759 1.00 0.00 N ATOM 1185 CA SER A 79 1.463 -7.078 0.999 1.00 0.00 C ATOM 1186 C SER A 79 2.355 -6.517 -0.104 1.00 0.00 C ATOM 1187 O SER A 79 1.895 -6.259 -1.217 1.00 0.00 O ATOM 1188 CB SER A 79 1.635 -8.595 1.089 1.00 0.00 C ATOM 1189 OG SER A 79 1.053 -9.241 -0.031 1.00 0.00 O ATOM 0 H SER A 79 -0.337 -7.175 -0.071 1.00 0.00 H new ATOM 0 HA SER A 79 1.762 -6.630 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.695 -8.841 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.174 -8.963 2.005 1.00 0.00 H new ATOM 0 HG SER A 79 1.525 -8.971 -0.846 1.00 0.00 H new ATOM 1195 N CYS A 80 3.632 -6.333 0.212 1.00 0.00 N ATOM 1196 CA CYS A 80 4.589 -5.803 -0.751 1.00 0.00 C ATOM 1197 C CYS A 80 5.813 -6.707 -0.856 1.00 0.00 C ATOM 1198 O CYS A 80 6.533 -6.910 0.121 1.00 0.00 O ATOM 1199 CB CYS A 80 5.018 -4.390 -0.352 1.00 0.00 C ATOM 1200 SG CYS A 80 5.469 -3.333 -1.747 1.00 0.00 S ATOM 0 H CYS A 80 4.028 -6.543 1.128 1.00 0.00 H new ATOM 0 HA CYS A 80 4.102 -5.766 -1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.205 -3.918 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.867 -4.458 0.328 1.00 0.00 H new ATOM 0 HG CYS A 80 4.399 -2.779 -2.235 1.00 0.00 H new ATOM 1206 N SER A 81 6.040 -7.251 -2.048 1.00 0.00 N ATOM 1207 CA SER A 81 7.173 -8.139 -2.280 1.00 0.00 C ATOM 1208 C SER A 81 8.413 -7.345 -2.680 1.00 0.00 C ATOM 1209 O SER A 81 8.396 -6.597 -3.657 1.00 0.00 O ATOM 1210 CB SER A 81 6.834 -9.160 -3.368 1.00 0.00 C ATOM 1211 OG SER A 81 5.639 -9.856 -3.059 1.00 0.00 O ATOM 0 H SER A 81 5.454 -7.092 -2.868 1.00 0.00 H new ATOM 0 HA SER A 81 7.385 -8.667 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.726 -8.652 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.655 -9.869 -3.474 1.00 0.00 H new ATOM 0 HG SER A 81 4.875 -9.248 -3.143 1.00 0.00 H new ATOM 1217 N PHE A 82 9.487 -7.514 -1.916 1.00 0.00 N ATOM 1218 CA PHE A 82 10.737 -6.813 -2.189 1.00 0.00 C ATOM 1219 C PHE A 82 11.928 -7.587 -1.632 1.00 0.00 C ATOM 1220 O PHE A 82 12.104 -7.686 -0.418 1.00 0.00 O ATOM 1221 CB PHE A 82 10.700 -5.407 -1.586 1.00 0.00 C ATOM 1222 CG PHE A 82 11.598 -4.430 -2.288 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.528 -4.268 -3.663 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.513 -3.673 -1.574 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.353 -3.369 -4.312 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.340 -2.772 -2.218 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.261 -2.621 -3.589 1.00 0.00 C ATOM 0 H PHE A 82 9.517 -8.130 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 82 10.852 -6.734 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.676 -5.034 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.988 -5.463 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.820 -4.851 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.581 -3.788 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.288 -3.252 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.048 -2.186 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.908 -1.919 -4.094 1.00 0.00 H new ATOM 1237 N GLY A 83 12.743 -8.134 -2.528 1.00 0.00 N ATOM 1238 CA GLY A 83 13.906 -8.893 -2.108 1.00 0.00 C ATOM 1239 C GLY A 83 13.540 -10.255 -1.554 1.00 0.00 C ATOM 1240 O GLY A 83 12.910 -11.062 -2.237 1.00 0.00 O ATOM 0 H GLY A 83 12.619 -8.065 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.580 -9.018 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.449 -8.330 -1.349 1.00 0.00 H new ATOM 1244 N ASP A 84 13.938 -10.514 -0.313 1.00 0.00 N ATOM 1245 CA ASP A 84 13.649 -11.789 0.333 1.00 0.00 C ATOM 1246 C ASP A 84 12.496 -11.648 1.322 1.00 0.00 C ATOM 1247 O ASP A 84 11.644 -12.530 1.425 1.00 0.00 O ATOM 1248 CB ASP A 84 14.892 -12.314 1.052 1.00 0.00 C ATOM 1249 CG ASP A 84 16.091 -12.425 0.130 1.00 0.00 C ATOM 1250 OD1 ASP A 84 16.310 -11.494 -0.673 1.00 0.00 O ATOM 1251 OD2 ASP A 84 16.809 -13.443 0.212 1.00 0.00 O ATOM 0 H ASP A 84 14.462 -9.858 0.266 1.00 0.00 H new ATOM 0 HA ASP A 84 13.357 -12.501 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.136 -11.650 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.675 -13.293 1.480 1.00 0.00 H new ATOM 1256 N GLN A 85 12.477 -10.534 2.047 1.00 0.00 N ATOM 1257 CA GLN A 85 11.430 -10.279 3.029 1.00 0.00 C ATOM 1258 C GLN A 85 10.176 -9.728 2.357 1.00 0.00 C ATOM 1259 O GLN A 85 10.232 -9.216 1.238 1.00 0.00 O ATOM 1260 CB GLN A 85 11.926 -9.298 4.092 1.00 0.00 C ATOM 1261 CG GLN A 85 13.218 -9.733 4.765 1.00 0.00 C ATOM 1262 CD GLN A 85 13.125 -11.122 5.365 1.00 0.00 C ATOM 1263 OE1 GLN A 85 12.206 -11.421 6.128 1.00 0.00 O ATOM 1264 NE2 GLN A 85 14.078 -11.980 5.021 1.00 0.00 N ATOM 0 H GLN A 85 13.175 -9.794 1.973 1.00 0.00 H new ATOM 0 HA GLN A 85 11.178 -11.225 3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.077 -8.322 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.153 -9.177 4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.028 -9.710 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.473 -9.019 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.821 -11.689 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.067 -12.930 5.392 1.00 0.00 H new ATOM 1273 N THR A 86 9.045 -9.837 3.046 1.00 0.00 N ATOM 1274 CA THR A 86 7.777 -9.352 2.516 1.00 0.00 C ATOM 1275 C THR A 86 6.907 -8.766 3.622 1.00 0.00 C ATOM 1276 O THR A 86 6.687 -9.398 4.656 1.00 0.00 O ATOM 1277 CB THR A 86 6.998 -10.475 1.807 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.790 -11.029 0.750 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.686 -9.951 1.243 1.00 0.00 C ATOM 0 H THR A 86 8.981 -10.257 3.973 1.00 0.00 H new ATOM 0 HA THR A 86 8.015 -8.572 1.793 1.00 0.00 H new ATOM 0 HB THR A 86 6.776 -11.251 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.288 -11.744 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.153 -10.762 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.073 -9.557 2.054 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.890 -9.158 0.524 1.00 0.00 H new ATOM 1287 N THR A 87 6.413 -7.552 3.399 1.00 0.00 N ATOM 1288 CA THR A 87 5.567 -6.879 4.377 1.00 0.00 C ATOM 1289 C THR A 87 4.090 -7.109 4.077 1.00 0.00 C ATOM 1290 O THR A 87 3.715 -7.390 2.939 1.00 0.00 O ATOM 1291 CB THR A 87 5.843 -5.364 4.412 1.00 0.00 C ATOM 1292 OG1 THR A 87 4.961 -4.727 5.343 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.662 -4.750 3.032 1.00 0.00 C ATOM 0 H THR A 87 6.584 -7.015 2.549 1.00 0.00 H new ATOM 0 HA THR A 87 5.808 -7.306 5.350 1.00 0.00 H new ATOM 0 HB THR A 87 6.875 -5.211 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.533 -3.957 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.862 -3.680 3.081 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.355 -5.217 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.639 -4.913 2.693 1.00 0.00 H new ATOM 1301 N SER A 88 3.256 -6.986 5.104 1.00 0.00 N ATOM 1302 CA SER A 88 1.819 -7.183 4.950 1.00 0.00 C ATOM 1303 C SER A 88 1.047 -6.400 6.008 1.00 0.00 C ATOM 1304 O SER A 88 1.249 -6.591 7.207 1.00 0.00 O ATOM 1305 CB SER A 88 1.474 -8.670 5.046 1.00 0.00 C ATOM 1306 OG SER A 88 1.786 -9.184 6.329 1.00 0.00 O ATOM 0 H SER A 88 3.550 -6.751 6.052 1.00 0.00 H new ATOM 0 HA SER A 88 1.529 -6.813 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.413 -8.814 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.024 -9.224 4.285 1.00 0.00 H new ATOM 0 HG SER A 88 1.825 -8.448 6.975 1.00 0.00 H new ATOM 1312 N ALA A 89 0.162 -5.519 5.554 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.643 -4.709 6.460 1.00 0.00 C ATOM 1314 C ALA A 89 -2.127 -4.828 6.132 1.00 0.00 C ATOM 1315 O ALA A 89 -2.503 -5.373 5.093 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.202 -3.254 6.399 1.00 0.00 C ATOM 0 H ALA A 89 -0.016 -5.348 4.564 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.491 -5.082 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.811 -2.660 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.846 -3.179 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.324 -2.879 5.383 1.00 0.00 H new ATOM 1322 N THR A 90 -2.969 -4.317 7.025 1.00 0.00 N ATOM 1323 CA THR A 90 -4.413 -4.368 6.831 1.00 0.00 C ATOM 1324 C THR A 90 -5.040 -2.989 7.004 1.00 0.00 C ATOM 1325 O THR A 90 -4.675 -2.239 7.910 1.00 0.00 O ATOM 1326 CB THR A 90 -5.077 -5.348 7.816 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.489 -6.647 7.686 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.575 -5.436 7.565 1.00 0.00 C ATOM 0 H THR A 90 -2.676 -3.863 7.890 1.00 0.00 H new ATOM 0 HA THR A 90 -4.583 -4.716 5.812 1.00 0.00 H new ATOM 0 HB THR A 90 -4.916 -4.976 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.916 -7.264 8.317 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.022 -6.134 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.024 -4.451 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.754 -5.786 6.548 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.985 -2.661 6.130 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.664 -1.371 6.186 1.00 0.00 C ATOM 1338 C LEU A 91 -8.103 -1.534 6.666 1.00 0.00 C ATOM 1339 O LEU A 91 -8.842 -2.385 6.170 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.646 -0.703 4.810 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.606 0.473 4.622 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -7.125 1.684 5.406 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.749 0.813 3.146 1.00 0.00 C ATOM 0 H LEU A 91 -6.298 -3.270 5.374 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.132 -0.739 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.633 -0.354 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.877 -1.458 4.059 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.585 0.184 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.820 2.511 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.074 1.435 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.135 1.976 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.436 1.652 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.775 1.083 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.139 -0.052 2.610 1.00 0.00 H new ATOM 1355 N THR A 92 -8.495 -0.711 7.633 1.00 0.00 N ATOM 1356 CA THR A 92 -9.845 -0.762 8.180 1.00 0.00 C ATOM 1357 C THR A 92 -10.722 0.334 7.584 1.00 0.00 C ATOM 1358 O THR A 92 -10.504 1.520 7.832 1.00 0.00 O ATOM 1359 CB THR A 92 -9.836 -0.619 9.714 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.998 -1.625 10.294 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.244 -0.738 10.277 1.00 0.00 C ATOM 0 H THR A 92 -7.896 -0.001 8.054 1.00 0.00 H new ATOM 0 HA THR A 92 -10.256 -1.736 7.916 1.00 0.00 H new ATOM 0 HB THR A 92 -9.445 0.367 9.963 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.996 -1.527 11.269 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.212 -0.634 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.872 0.047 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.658 -1.712 10.018 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.714 -0.071 6.798 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.625 0.877 6.168 1.00 0.00 C ATOM 1371 C VAL A 93 -13.949 0.950 6.921 1.00 0.00 C ATOM 1372 O VAL A 93 -14.634 -0.059 7.095 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.902 0.499 4.701 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.878 1.481 4.071 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.603 0.444 3.911 1.00 0.00 C ATOM 0 H VAL A 93 -11.907 -1.049 6.582 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.138 1.852 6.199 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.356 -0.492 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.061 1.197 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.818 1.465 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.455 2.485 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.817 0.175 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.118 1.420 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.941 -0.303 4.350 1.00 0.00 H new ATOM 1385 N THR A 94 -14.305 2.151 7.366 1.00 0.00 N ATOM 1386 CA THR A 94 -15.546 2.357 8.101 1.00 0.00 C ATOM 1387 C THR A 94 -16.683 2.746 7.163 1.00 0.00 C ATOM 1388 O THR A 94 -16.571 3.708 6.403 1.00 0.00 O ATOM 1389 CB THR A 94 -15.388 3.448 9.177 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.156 3.263 9.884 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.551 3.414 10.157 1.00 0.00 C ATOM 0 H THR A 94 -13.751 2.996 7.230 1.00 0.00 H new ATOM 0 HA THR A 94 -15.786 1.411 8.586 1.00 0.00 H new ATOM 0 HB THR A 94 -15.380 4.419 8.681 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.062 3.961 10.565 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.417 4.193 10.907 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.484 3.583 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.586 2.441 10.647 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.776 1.993 7.221 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.935 2.261 6.378 1.00 0.00 C ATOM 1401 C ALA A 95 -19.671 3.514 6.839 1.00 0.00 C ATOM 1402 O ALA A 95 -20.120 3.597 7.983 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.875 1.065 6.376 1.00 0.00 C ATOM 0 H ALA A 95 -17.884 1.192 7.843 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.581 2.432 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.736 1.280 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.350 0.190 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.214 0.867 7.393 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.791 4.488 5.944 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.473 5.738 6.260 1.00 0.00 C ATOM 1411 C LEU A 96 -21.939 5.488 6.600 1.00 0.00 C ATOM 1412 O LEU A 96 -22.588 4.601 6.044 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.369 6.710 5.083 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.506 6.652 4.062 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.735 7.375 4.590 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -21.061 7.250 2.735 1.00 0.00 C ATOM 0 H LEU A 96 -19.425 4.436 4.993 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.987 6.178 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.314 7.724 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.430 6.520 4.563 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.768 5.607 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.534 7.323 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -23.066 6.902 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.488 8.419 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -21.882 7.201 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.771 8.290 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.210 6.688 2.350 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.475 6.289 7.532 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.871 6.176 7.965 1.00 0.00 C ATOM 1430 C PRO A 97 -24.851 6.616 6.883 1.00 0.00 C ATOM 1431 O PRO A 97 -25.156 7.802 6.753 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.947 7.117 9.170 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.860 8.110 8.943 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.761 7.367 8.236 1.00 0.00 C ATOM 0 HA PRO A 97 -24.144 5.146 8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.921 7.603 9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.800 6.576 10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.215 8.947 8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.506 8.524 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.222 8.012 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.027 6.971 8.938 1.00 0.00 H new ATOM 1442 N SER A 98 -25.342 5.654 6.108 1.00 0.00 N ATOM 1443 CA SER A 98 -26.285 5.944 5.034 1.00 0.00 C ATOM 1444 C SER A 98 -27.682 5.444 5.389 1.00 0.00 C ATOM 1445 O SER A 98 -27.906 4.244 5.536 1.00 0.00 O ATOM 1446 CB SER A 98 -25.817 5.299 3.728 1.00 0.00 C ATOM 1447 OG SER A 98 -26.279 6.029 2.605 1.00 0.00 O ATOM 0 H SER A 98 -25.102 4.667 6.204 1.00 0.00 H new ATOM 0 HA SER A 98 -26.327 7.025 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 98 -24.728 5.251 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 98 -26.182 4.273 3.674 1.00 0.00 H new ATOM 0 HG SER A 98 -25.965 5.598 1.783 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.620 6.377 5.526 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.984 6.013 5.863 1.00 0.00 C ATOM 1455 C GLY A 99 -30.947 6.251 4.717 1.00 0.00 C ATOM 1456 O GLY A 99 -30.793 7.186 3.932 1.00 0.00 O ATOM 0 H GLY A 99 -28.460 7.378 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -30.016 4.962 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -30.307 6.589 6.730 1.00 0.00 H new ATOM 1460 N PRO A 100 -31.969 5.388 4.609 1.00 0.00 N ATOM 1461 CA PRO A 100 -32.980 5.487 3.553 1.00 0.00 C ATOM 1462 C PRO A 100 -33.892 6.695 3.735 1.00 0.00 C ATOM 1463 O PRO A 100 -34.670 6.759 4.687 1.00 0.00 O ATOM 1464 CB PRO A 100 -33.776 4.188 3.702 1.00 0.00 C ATOM 1465 CG PRO A 100 -33.595 3.794 5.127 1.00 0.00 C ATOM 1466 CD PRO A 100 -32.214 4.249 5.510 1.00 0.00 C ATOM 0 HA PRO A 100 -32.530 5.617 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -34.829 4.339 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -33.404 3.416 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -34.349 4.261 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -33.699 2.716 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -32.165 4.547 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -31.477 3.459 5.369 1.00 0.00 H new ATOM 1474 N SER A 101 -33.792 7.650 2.817 1.00 0.00 N ATOM 1475 CA SER A 101 -34.606 8.859 2.878 1.00 0.00 C ATOM 1476 C SER A 101 -35.432 9.023 1.606 1.00 0.00 C ATOM 1477 O SER A 101 -35.074 9.794 0.716 1.00 0.00 O ATOM 1478 CB SER A 101 -33.718 10.087 3.086 1.00 0.00 C ATOM 1479 OG SER A 101 -32.862 10.291 1.975 1.00 0.00 O ATOM 0 H SER A 101 -33.155 7.611 2.021 1.00 0.00 H new ATOM 0 HA SER A 101 -35.288 8.766 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.341 10.969 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 101 -33.122 9.960 3.990 1.00 0.00 H new ATOM 0 HG SER A 101 -33.397 10.354 1.157 1.00 0.00 H new ATOM 1485 N SER A 102 -36.539 8.291 1.528 1.00 0.00 N ATOM 1486 CA SER A 102 -37.415 8.352 0.364 1.00 0.00 C ATOM 1487 C SER A 102 -37.991 9.753 0.190 1.00 0.00 C ATOM 1488 O SER A 102 -38.070 10.527 1.143 1.00 0.00 O ATOM 1489 CB SER A 102 -38.550 7.334 0.500 1.00 0.00 C ATOM 1490 OG SER A 102 -39.406 7.667 1.579 1.00 0.00 O ATOM 0 H SER A 102 -36.850 7.649 2.257 1.00 0.00 H new ATOM 0 HA SER A 102 -36.823 8.110 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 102 -39.124 7.298 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 102 -38.134 6.339 0.656 1.00 0.00 H new ATOM 0 HG SER A 102 -40.124 7.003 1.644 1.00 0.00 H new ATOM 1496 N GLY A 103 -38.393 10.073 -1.037 1.00 0.00 N ATOM 1497 CA GLY A 103 -38.957 11.381 -1.315 1.00 0.00 C ATOM 1498 C GLY A 103 -40.348 11.547 -0.738 1.00 0.00 C ATOM 1499 O GLY A 103 -41.344 11.350 -1.435 1.00 0.00 O ATOM 0 H GLY A 103 -38.338 9.450 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -38.303 12.150 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -38.993 11.536 -2.393 1.00 0.00 H new TER 1503 GLY A 103