USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 836 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 92 ASN : amide:sc= -3.12! C(o=-3.9!,f=-14!) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.81 X(o=-3.9,f=-4) USER MOD Set 2.1: A 40 THR OG1 : rot -83:sc= 2.27 USER MOD Set 2.2: A 51 TYR OH : rot 130:sc= 1.04 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 1.02 K(o=4.3,f=-4.1!) USER MOD Set 3.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 64 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.89) USER MOD Set 4.1: A 54 TYR OH : rot 180:sc= 0.398 USER MOD Set 4.2: A 91 TYR OH : rot 15:sc= 0.429 USER MOD Set 5.1: A 50 ASN : amide:sc= -0.654 X(o=-0.64,f=-0.66) USER MOD Set 5.2: A 69 SER OG : rot 2:sc= 0.00994 USER MOD Set 6.1: A 35 THR OG1 : rot 180:sc= -0.0169 USER MOD Set 6.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.173 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 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 41:sc= 0.754 USER MOD Single : A 12 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.4!) USER MOD Single : A 27 TYR OH : rot 36:sc= -1.15 USER MOD Single : A 30 SER OG : rot 29:sc= 0.00302 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.425 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 43 SER OG : rot 34:sc= 0.814 USER MOD Single : A 45 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.5) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0856) USER MOD Single : A 56 MET CE :methyl 169:sc= 0 (180deg=-0.0496) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0201) USER MOD Single : A 60 THR OG1 : rot 79:sc= 0.114 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0205 (180deg=-0.282) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00855 X(o=-0.0085,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 59:sc= 0.157 USER MOD Single : A 84 TYR OH : rot 120:sc= 0.32 USER MOD Single : A 85 SER OG : rot -170:sc= -0.983 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= -0.333 (180deg=-0.376) USER MOD Single : A 99 SER OG : rot -90:sc= -0.67 USER MOD Single : A 100 THR OG1 : rot -76:sc= 1.43 USER MOD Single : A 107 THR OG1 : rot 171:sc= 0.786 USER MOD Single : A 109 SER OG : rot 20:sc= 0.34 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.742 -27.066 5.589 1.00 0.00 N ATOM 2 CA GLY A 1 -0.092 -27.018 6.885 1.00 0.00 C ATOM 3 C GLY A 1 0.889 -25.868 7.000 1.00 0.00 C ATOM 4 O GLY A 1 0.510 -24.755 7.364 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.402 -27.869 5.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.266 -26.182 5.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.025 -27.182 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.849 -26.925 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.432 -27.957 7.060 1.00 0.00 H new ATOM 8 N SER A 2 2.153 -26.137 6.690 1.00 0.00 N ATOM 9 CA SER A 2 3.192 -25.117 6.765 1.00 0.00 C ATOM 10 C SER A 2 4.280 -25.372 5.726 1.00 0.00 C ATOM 11 O SER A 2 4.886 -26.443 5.696 1.00 0.00 O ATOM 12 CB SER A 2 3.806 -25.087 8.166 1.00 0.00 C ATOM 13 OG SER A 2 3.050 -24.263 9.037 1.00 0.00 O ATOM 0 H SER A 2 2.482 -27.053 6.385 1.00 0.00 H new ATOM 0 HA SER A 2 2.734 -24.150 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.853 -26.099 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.830 -24.719 8.110 1.00 0.00 H new ATOM 0 HG SER A 2 2.121 -24.226 8.728 1.00 0.00 H new ATOM 19 N SER A 3 4.521 -24.380 4.875 1.00 0.00 N ATOM 20 CA SER A 3 5.533 -24.497 3.832 1.00 0.00 C ATOM 21 C SER A 3 6.903 -24.073 4.354 1.00 0.00 C ATOM 22 O SER A 3 7.876 -24.818 4.249 1.00 0.00 O ATOM 23 CB SER A 3 5.149 -23.642 2.622 1.00 0.00 C ATOM 24 OG SER A 3 5.983 -23.926 1.512 1.00 0.00 O ATOM 0 H SER A 3 4.029 -23.486 4.887 1.00 0.00 H new ATOM 0 HA SER A 3 5.587 -25.542 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.108 -23.829 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.228 -22.586 2.879 1.00 0.00 H new ATOM 0 HG SER A 3 5.716 -23.368 0.751 1.00 0.00 H new ATOM 30 N GLY A 4 6.969 -22.870 4.916 1.00 0.00 N ATOM 31 CA GLY A 4 8.224 -22.367 5.446 1.00 0.00 C ATOM 32 C GLY A 4 9.028 -21.609 4.409 1.00 0.00 C ATOM 33 O GLY A 4 9.314 -22.131 3.331 1.00 0.00 O ATOM 0 H GLY A 4 6.177 -22.235 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.021 -21.712 6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.816 -23.201 5.822 1.00 0.00 H new ATOM 37 N SER A 5 9.393 -20.373 4.734 1.00 0.00 N ATOM 38 CA SER A 5 10.165 -19.539 3.820 1.00 0.00 C ATOM 39 C SER A 5 11.402 -20.280 3.321 1.00 0.00 C ATOM 40 O SER A 5 12.020 -21.046 4.060 1.00 0.00 O ATOM 41 CB SER A 5 10.580 -18.238 4.510 1.00 0.00 C ATOM 42 OG SER A 5 9.455 -17.419 4.773 1.00 0.00 O ATOM 0 H SER A 5 9.167 -19.927 5.623 1.00 0.00 H new ATOM 0 HA SER A 5 9.534 -19.303 2.963 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.094 -18.466 5.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.287 -17.698 3.880 1.00 0.00 H new ATOM 0 HG SER A 5 9.747 -16.595 5.216 1.00 0.00 H new ATOM 48 N SER A 6 11.756 -20.046 2.061 1.00 0.00 N ATOM 49 CA SER A 6 12.916 -20.694 1.460 1.00 0.00 C ATOM 50 C SER A 6 14.194 -19.924 1.779 1.00 0.00 C ATOM 51 O SER A 6 15.012 -19.666 0.898 1.00 0.00 O ATOM 52 CB SER A 6 12.737 -20.804 -0.055 1.00 0.00 C ATOM 53 OG SER A 6 11.930 -21.918 -0.395 1.00 0.00 O ATOM 0 H SER A 6 11.256 -19.413 1.437 1.00 0.00 H new ATOM 0 HA SER A 6 13.001 -21.695 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.281 -19.891 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.712 -20.898 -0.533 1.00 0.00 H new ATOM 0 HG SER A 6 11.830 -21.964 -1.369 1.00 0.00 H new ATOM 59 N GLY A 7 14.357 -19.560 3.048 1.00 0.00 N ATOM 60 CA GLY A 7 15.537 -18.823 3.462 1.00 0.00 C ATOM 61 C GLY A 7 15.425 -17.340 3.172 1.00 0.00 C ATOM 62 O GLY A 7 14.333 -16.772 3.215 1.00 0.00 O ATOM 0 H GLY A 7 13.693 -19.762 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.697 -18.970 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.411 -19.225 2.950 1.00 0.00 H new ATOM 66 N ARG A 8 16.557 -16.709 2.877 1.00 0.00 N ATOM 67 CA ARG A 8 16.582 -15.282 2.582 1.00 0.00 C ATOM 68 C ARG A 8 17.977 -14.841 2.148 1.00 0.00 C ATOM 69 O ARG A 8 18.926 -14.888 2.931 1.00 0.00 O ATOM 70 CB ARG A 8 16.139 -14.478 3.806 1.00 0.00 C ATOM 71 CG ARG A 8 16.784 -14.939 5.103 1.00 0.00 C ATOM 72 CD ARG A 8 16.938 -13.791 6.087 1.00 0.00 C ATOM 73 NE ARG A 8 18.083 -13.979 6.973 1.00 0.00 N ATOM 74 CZ ARG A 8 18.059 -14.758 8.050 1.00 0.00 C ATOM 75 NH1 ARG A 8 16.954 -15.416 8.371 1.00 0.00 N ATOM 76 NH2 ARG A 8 19.142 -14.878 8.807 1.00 0.00 N ATOM 0 H ARG A 8 17.469 -17.164 2.836 1.00 0.00 H new ATOM 0 HA ARG A 8 15.889 -15.094 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 8 16.377 -13.427 3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.056 -14.548 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.178 -15.726 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.762 -15.371 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.054 -12.856 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.030 -13.700 6.683 1.00 0.00 H new ATOM 0 HE ARG A 8 18.949 -13.486 6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.120 -15.325 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.938 -16.013 9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.994 -14.372 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.123 -15.476 9.633 1.00 0.00 H new ATOM 90 N VAL A 9 18.093 -14.412 0.895 1.00 0.00 N ATOM 91 CA VAL A 9 19.372 -13.962 0.357 1.00 0.00 C ATOM 92 C VAL A 9 19.356 -12.462 0.087 1.00 0.00 C ATOM 93 O VAL A 9 18.361 -11.918 -0.391 1.00 0.00 O ATOM 94 CB VAL A 9 19.724 -14.703 -0.946 1.00 0.00 C ATOM 95 CG1 VAL A 9 20.180 -16.123 -0.647 1.00 0.00 C ATOM 96 CG2 VAL A 9 18.536 -14.705 -1.896 1.00 0.00 C ATOM 0 H VAL A 9 17.318 -14.367 0.234 1.00 0.00 H new ATOM 0 HA VAL A 9 20.129 -14.185 1.109 1.00 0.00 H new ATOM 0 HB VAL A 9 20.547 -14.177 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 9 20.424 -16.631 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 9 21.062 -16.095 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 9 19.381 -16.662 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 9 18.803 -15.233 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 9 17.692 -15.205 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.261 -13.678 -2.137 1.00 0.00 H new ATOM 106 N GLU A 10 20.467 -11.799 0.396 1.00 0.00 N ATOM 107 CA GLU A 10 20.580 -10.360 0.186 1.00 0.00 C ATOM 108 C GLU A 10 21.477 -10.054 -1.009 1.00 0.00 C ATOM 109 O GLU A 10 22.574 -9.514 -0.855 1.00 0.00 O ATOM 110 CB GLU A 10 21.134 -9.682 1.441 1.00 0.00 C ATOM 111 CG GLU A 10 22.322 -10.406 2.051 1.00 0.00 C ATOM 112 CD GLU A 10 21.907 -11.484 3.033 1.00 0.00 C ATOM 113 OE1 GLU A 10 20.954 -11.247 3.805 1.00 0.00 O ATOM 114 OE2 GLU A 10 22.535 -12.563 3.032 1.00 0.00 O ATOM 0 H GLU A 10 21.300 -12.235 0.792 1.00 0.00 H new ATOM 0 HA GLU A 10 19.584 -9.969 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.429 -8.663 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 10 20.341 -9.612 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.917 -10.854 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.961 -9.684 2.559 1.00 0.00 H new ATOM 121 N THR A 11 21.005 -10.402 -2.202 1.00 0.00 N ATOM 122 CA THR A 11 21.763 -10.167 -3.423 1.00 0.00 C ATOM 123 C THR A 11 20.840 -9.828 -4.588 1.00 0.00 C ATOM 124 O THR A 11 20.054 -10.664 -5.032 1.00 0.00 O ATOM 125 CB THR A 11 22.616 -11.393 -3.800 1.00 0.00 C ATOM 126 OG1 THR A 11 21.773 -12.532 -4.005 1.00 0.00 O ATOM 127 CG2 THR A 11 23.635 -11.699 -2.712 1.00 0.00 C ATOM 0 H THR A 11 20.100 -10.848 -2.348 1.00 0.00 H new ATOM 0 HA THR A 11 22.422 -9.321 -3.227 1.00 0.00 H new ATOM 0 HB THR A 11 23.150 -11.166 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.965 -12.258 -4.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 24.225 -12.569 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.294 -10.841 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.117 -11.907 -1.776 1.00 0.00 H new ATOM 135 N GLN A 12 20.940 -8.596 -5.077 1.00 0.00 N ATOM 136 CA GLN A 12 20.113 -8.147 -6.191 1.00 0.00 C ATOM 137 C GLN A 12 20.892 -7.206 -7.103 1.00 0.00 C ATOM 138 O GLN A 12 21.648 -6.347 -6.650 1.00 0.00 O ATOM 139 CB GLN A 12 18.856 -7.448 -5.670 1.00 0.00 C ATOM 140 CG GLN A 12 17.808 -8.405 -5.127 1.00 0.00 C ATOM 141 CD GLN A 12 16.957 -9.021 -6.221 1.00 0.00 C ATOM 142 OE1 GLN A 12 17.024 -10.225 -6.471 1.00 0.00 O ATOM 143 NE2 GLN A 12 16.152 -8.197 -6.881 1.00 0.00 N ATOM 0 H GLN A 12 21.585 -7.891 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 12 19.820 -9.023 -6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.139 -6.748 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.417 -6.861 -6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.302 -9.198 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.164 -7.873 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.128 -7.206 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.557 -8.555 -7.628 1.00 0.00 H new ATOM 152 N PRO A 13 20.705 -7.369 -8.422 1.00 0.00 N ATOM 153 CA PRO A 13 21.381 -6.543 -9.426 1.00 0.00 C ATOM 154 C PRO A 13 20.872 -5.106 -9.432 1.00 0.00 C ATOM 155 O PRO A 13 20.036 -4.731 -8.611 1.00 0.00 O ATOM 156 CB PRO A 13 21.039 -7.237 -10.746 1.00 0.00 C ATOM 157 CG PRO A 13 19.761 -7.955 -10.476 1.00 0.00 C ATOM 158 CD PRO A 13 19.818 -8.373 -9.033 1.00 0.00 C ATOM 0 HA PRO A 13 22.451 -6.465 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 13 20.924 -6.515 -11.555 1.00 0.00 H new ATOM 0 HB3 PRO A 13 21.826 -7.929 -11.045 1.00 0.00 H new ATOM 0 HG2 PRO A 13 18.903 -7.308 -10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 13 19.654 -8.821 -11.129 1.00 0.00 H new ATOM 0 HD2 PRO A 13 18.829 -8.368 -8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 13 20.216 -9.382 -8.922 1.00 0.00 H new ATOM 166 N GLU A 14 21.382 -4.306 -10.364 1.00 0.00 N ATOM 167 CA GLU A 14 20.977 -2.910 -10.476 1.00 0.00 C ATOM 168 C GLU A 14 20.068 -2.701 -11.683 1.00 0.00 C ATOM 169 O GLU A 14 20.438 -3.015 -12.815 1.00 0.00 O ATOM 170 CB GLU A 14 22.208 -2.007 -10.588 1.00 0.00 C ATOM 171 CG GLU A 14 22.979 -1.864 -9.287 1.00 0.00 C ATOM 172 CD GLU A 14 23.776 -0.576 -9.219 1.00 0.00 C ATOM 173 OE1 GLU A 14 24.705 -0.409 -10.037 1.00 0.00 O ATOM 174 OE2 GLU A 14 23.470 0.265 -8.348 1.00 0.00 O ATOM 0 H GLU A 14 22.076 -4.601 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 14 20.422 -2.646 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.874 -2.408 -11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.894 -1.019 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.282 -1.900 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.655 -2.712 -9.175 1.00 0.00 H new ATOM 181 N VAL A 15 18.875 -2.170 -11.434 1.00 0.00 N ATOM 182 CA VAL A 15 17.913 -1.919 -12.500 1.00 0.00 C ATOM 183 C VAL A 15 17.214 -0.578 -12.305 1.00 0.00 C ATOM 184 O VAL A 15 16.835 -0.222 -11.189 1.00 0.00 O ATOM 185 CB VAL A 15 16.851 -3.033 -12.571 1.00 0.00 C ATOM 186 CG1 VAL A 15 15.855 -2.751 -13.686 1.00 0.00 C ATOM 187 CG2 VAL A 15 17.514 -4.388 -12.767 1.00 0.00 C ATOM 0 H VAL A 15 18.552 -1.905 -10.503 1.00 0.00 H new ATOM 0 HA VAL A 15 18.474 -1.901 -13.435 1.00 0.00 H new ATOM 0 HB VAL A 15 16.306 -3.053 -11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.113 -3.548 -13.721 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.357 -1.800 -13.497 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.381 -2.703 -14.640 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.750 -5.164 -12.815 1.00 0.00 H new ATOM 0 HG22 VAL A 15 18.085 -4.383 -13.696 1.00 0.00 H new ATOM 0 HG23 VAL A 15 18.184 -4.590 -11.931 1.00 0.00 H new ATOM 197 N GLN A 16 17.046 0.161 -13.397 1.00 0.00 N ATOM 198 CA GLN A 16 16.393 1.463 -13.345 1.00 0.00 C ATOM 199 C GLN A 16 14.938 1.325 -12.908 1.00 0.00 C ATOM 200 O GLN A 16 14.080 0.916 -13.691 1.00 0.00 O ATOM 201 CB GLN A 16 16.465 2.148 -14.711 1.00 0.00 C ATOM 202 CG GLN A 16 17.883 2.466 -15.158 1.00 0.00 C ATOM 203 CD GLN A 16 17.998 2.626 -16.661 1.00 0.00 C ATOM 204 OE1 GLN A 16 17.507 3.599 -17.233 1.00 0.00 O ATOM 205 NE2 GLN A 16 18.651 1.668 -17.310 1.00 0.00 N ATOM 0 H GLN A 16 17.353 -0.120 -14.328 1.00 0.00 H new ATOM 0 HA GLN A 16 16.917 2.075 -12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.994 1.506 -15.455 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.888 3.072 -14.676 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.216 3.383 -14.672 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.551 1.670 -14.829 1.00 0.00 H new ATOM 0 HE21 GLN A 16 19.042 0.879 -16.796 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.761 1.722 -18.323 1.00 0.00 H new ATOM 214 N LEU A 17 14.667 1.669 -11.654 1.00 0.00 N ATOM 215 CA LEU A 17 13.316 1.583 -11.112 1.00 0.00 C ATOM 216 C LEU A 17 13.036 2.743 -10.161 1.00 0.00 C ATOM 217 O LEU A 17 13.945 3.332 -9.577 1.00 0.00 O ATOM 218 CB LEU A 17 13.121 0.253 -10.383 1.00 0.00 C ATOM 219 CG LEU A 17 13.063 -0.994 -11.266 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.318 -2.246 -10.441 1.00 0.00 C ATOM 221 CD2 LEU A 17 11.719 -1.084 -11.974 1.00 0.00 C ATOM 0 H LEU A 17 15.365 2.010 -10.993 1.00 0.00 H new ATOM 0 HA LEU A 17 12.613 1.641 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.935 0.130 -9.669 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.197 0.309 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 17 13.845 -0.917 -12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.273 -3.123 -11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.305 -2.184 -9.982 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.560 -2.329 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.696 -1.977 -12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.921 -1.137 -11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.577 -0.202 -12.598 1.00 0.00 H new ATOM 233 N PRO A 18 11.747 3.078 -9.999 1.00 0.00 N ATOM 234 CA PRO A 18 11.317 4.167 -9.117 1.00 0.00 C ATOM 235 C PRO A 18 11.517 3.833 -7.643 1.00 0.00 C ATOM 236 O PRO A 18 11.420 2.675 -7.240 1.00 0.00 O ATOM 237 CB PRO A 18 9.827 4.313 -9.435 1.00 0.00 C ATOM 238 CG PRO A 18 9.414 2.974 -9.941 1.00 0.00 C ATOM 239 CD PRO A 18 10.611 2.418 -10.663 1.00 0.00 C ATOM 0 HA PRO A 18 11.894 5.077 -9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.259 4.593 -8.548 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.656 5.088 -10.182 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.115 2.322 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.558 3.057 -10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.667 1.333 -10.572 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.580 2.647 -11.728 1.00 0.00 H new ATOM 247 N GLY A 19 11.798 4.856 -6.842 1.00 0.00 N ATOM 248 CA GLY A 19 12.007 4.650 -5.421 1.00 0.00 C ATOM 249 C GLY A 19 10.705 4.508 -4.658 1.00 0.00 C ATOM 250 O GLY A 19 9.616 4.676 -5.208 1.00 0.00 O ATOM 0 H GLY A 19 11.885 5.824 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.611 3.755 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.573 5.488 -5.015 1.00 0.00 H new ATOM 254 N PRO A 20 10.807 4.190 -3.359 1.00 0.00 N ATOM 255 CA PRO A 20 9.638 4.017 -2.491 1.00 0.00 C ATOM 256 C PRO A 20 8.923 5.334 -2.213 1.00 0.00 C ATOM 257 O PRO A 20 9.546 6.316 -1.810 1.00 0.00 O ATOM 258 CB PRO A 20 10.234 3.449 -1.201 1.00 0.00 C ATOM 259 CG PRO A 20 11.647 3.924 -1.195 1.00 0.00 C ATOM 260 CD PRO A 20 12.072 3.974 -2.636 1.00 0.00 C ATOM 0 HA PRO A 20 8.884 3.375 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.693 3.805 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.182 2.360 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.727 4.907 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.284 3.249 -0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.781 4.781 -2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.557 3.048 -2.944 1.00 0.00 H new ATOM 268 N ALA A 21 7.612 5.348 -2.429 1.00 0.00 N ATOM 269 CA ALA A 21 6.812 6.545 -2.199 1.00 0.00 C ATOM 270 C ALA A 21 6.959 7.035 -0.762 1.00 0.00 C ATOM 271 O ALA A 21 6.515 6.390 0.188 1.00 0.00 O ATOM 272 CB ALA A 21 5.350 6.272 -2.519 1.00 0.00 C ATOM 0 H ALA A 21 7.081 4.544 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 21 7.177 7.329 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.764 7.174 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.255 5.976 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.981 5.470 -1.880 1.00 0.00 H new ATOM 278 N PRO A 22 7.598 8.203 -0.597 1.00 0.00 N ATOM 279 CA PRO A 22 7.818 8.805 0.721 1.00 0.00 C ATOM 280 C PRO A 22 6.525 9.311 1.351 1.00 0.00 C ATOM 281 O PRO A 22 5.449 9.185 0.768 1.00 0.00 O ATOM 282 CB PRO A 22 8.761 9.974 0.424 1.00 0.00 C ATOM 283 CG PRO A 22 8.498 10.320 -1.001 1.00 0.00 C ATOM 284 CD PRO A 22 8.154 9.026 -1.684 1.00 0.00 C ATOM 0 HA PRO A 22 8.219 8.086 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.561 10.821 1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.803 9.691 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.679 11.035 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.373 10.782 -1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.430 9.175 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.033 8.561 -2.130 1.00 0.00 H new ATOM 292 N ASN A 23 6.638 9.885 2.544 1.00 0.00 N ATOM 293 CA ASN A 23 5.476 10.410 3.253 1.00 0.00 C ATOM 294 C ASN A 23 4.283 9.470 3.113 1.00 0.00 C ATOM 295 O ASN A 23 3.178 9.898 2.776 1.00 0.00 O ATOM 296 CB ASN A 23 5.112 11.797 2.720 1.00 0.00 C ATOM 297 CG ASN A 23 6.282 12.761 2.770 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.691 13.312 1.748 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.828 12.969 3.963 1.00 0.00 N ATOM 0 H ASN A 23 7.522 9.999 3.040 1.00 0.00 H new ATOM 0 HA ASN A 23 5.731 10.489 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.762 11.708 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.286 12.202 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.618 13.607 4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.457 12.491 4.784 1.00 0.00 H new ATOM 306 N LEU A 24 4.512 8.188 3.375 1.00 0.00 N ATOM 307 CA LEU A 24 3.456 7.187 3.279 1.00 0.00 C ATOM 308 C LEU A 24 2.675 7.093 4.586 1.00 0.00 C ATOM 309 O LEU A 24 3.112 6.444 5.537 1.00 0.00 O ATOM 310 CB LEU A 24 4.051 5.822 2.928 1.00 0.00 C ATOM 311 CG LEU A 24 3.060 4.661 2.837 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.149 4.831 1.630 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.799 3.333 2.767 1.00 0.00 C ATOM 0 H LEU A 24 5.420 7.817 3.656 1.00 0.00 H new ATOM 0 HA LEU A 24 2.770 7.492 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.568 5.908 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.804 5.573 3.676 1.00 0.00 H new ATOM 0 HG LEU A 24 2.443 4.663 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.450 3.996 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.593 5.764 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.750 4.855 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.078 2.518 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.441 3.320 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.409 3.208 3.662 1.00 0.00 H new ATOM 325 N ARG A 25 1.516 7.743 4.625 1.00 0.00 N ATOM 326 CA ARG A 25 0.673 7.732 5.814 1.00 0.00 C ATOM 327 C ARG A 25 -0.603 6.932 5.569 1.00 0.00 C ATOM 328 O ARG A 25 -0.961 6.652 4.425 1.00 0.00 O ATOM 329 CB ARG A 25 0.321 9.161 6.229 1.00 0.00 C ATOM 330 CG ARG A 25 1.498 10.120 6.169 1.00 0.00 C ATOM 331 CD ARG A 25 2.241 10.173 7.495 1.00 0.00 C ATOM 332 NE ARG A 25 3.205 9.084 7.626 1.00 0.00 N ATOM 333 CZ ARG A 25 4.447 9.141 7.158 1.00 0.00 C ATOM 334 NH1 ARG A 25 4.874 10.229 6.532 1.00 0.00 N ATOM 335 NH2 ARG A 25 5.265 8.108 7.316 1.00 0.00 N ATOM 0 H ARG A 25 1.140 8.284 3.846 1.00 0.00 H new ATOM 0 HA ARG A 25 1.231 7.255 6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.473 9.533 5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.075 9.148 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.182 9.809 5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.143 11.117 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.759 11.128 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.524 10.123 8.315 1.00 0.00 H new ATOM 0 HE ARG A 25 2.908 8.233 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.248 11.025 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.828 10.270 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.940 7.269 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.218 8.153 6.956 1.00 0.00 H new ATOM 349 N ALA A 26 -1.285 6.569 6.650 1.00 0.00 N ATOM 350 CA ALA A 26 -2.522 5.804 6.552 1.00 0.00 C ATOM 351 C ALA A 26 -3.386 5.997 7.793 1.00 0.00 C ATOM 352 O ALA A 26 -2.923 5.813 8.919 1.00 0.00 O ATOM 353 CB ALA A 26 -2.214 4.328 6.344 1.00 0.00 C ATOM 0 H ALA A 26 -1.002 6.792 7.604 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.081 6.172 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.147 3.768 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.643 4.202 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.631 3.956 7.186 1.00 0.00 H new ATOM 359 N TYR A 27 -4.644 6.368 7.580 1.00 0.00 N ATOM 360 CA TYR A 27 -5.573 6.589 8.682 1.00 0.00 C ATOM 361 C TYR A 27 -6.977 6.119 8.314 1.00 0.00 C ATOM 362 O TYR A 27 -7.439 6.329 7.193 1.00 0.00 O ATOM 363 CB TYR A 27 -5.602 8.070 9.063 1.00 0.00 C ATOM 364 CG TYR A 27 -5.900 8.989 7.900 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.883 9.439 7.067 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.198 9.406 7.634 1.00 0.00 C ATOM 367 CE1 TYR A 27 -5.151 10.279 6.003 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.475 10.245 6.572 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.449 10.679 5.760 1.00 0.00 C ATOM 370 OH TYR A 27 -6.720 11.515 4.701 1.00 0.00 O ATOM 0 H TYR A 27 -5.044 6.522 6.654 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.228 6.008 9.537 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.354 8.223 9.838 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.639 8.344 9.495 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.866 9.127 7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.004 9.069 8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.349 10.620 5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.490 10.559 6.379 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.130 11.294 3.950 1.00 0.00 H new ATOM 380 N ALA A 28 -7.650 5.483 9.267 1.00 0.00 N ATOM 381 CA ALA A 28 -9.002 4.986 9.046 1.00 0.00 C ATOM 382 C ALA A 28 -10.022 6.116 9.124 1.00 0.00 C ATOM 383 O ALA A 28 -10.324 6.618 10.207 1.00 0.00 O ATOM 384 CB ALA A 28 -9.336 3.899 10.056 1.00 0.00 C ATOM 0 H ALA A 28 -7.281 5.300 10.200 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.047 4.561 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.349 3.537 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.632 3.074 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.267 4.306 11.065 1.00 0.00 H new ATOM 390 N ALA A 29 -10.550 6.512 7.971 1.00 0.00 N ATOM 391 CA ALA A 29 -11.538 7.582 7.910 1.00 0.00 C ATOM 392 C ALA A 29 -12.867 7.137 8.510 1.00 0.00 C ATOM 393 O ALA A 29 -13.555 7.919 9.167 1.00 0.00 O ATOM 394 CB ALA A 29 -11.733 8.040 6.472 1.00 0.00 C ATOM 0 H ALA A 29 -10.310 6.108 7.066 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.166 8.420 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.474 8.839 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.786 8.407 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.079 7.202 5.867 1.00 0.00 H new ATOM 400 N SER A 30 -13.223 5.878 8.279 1.00 0.00 N ATOM 401 CA SER A 30 -14.473 5.330 8.794 1.00 0.00 C ATOM 402 C SER A 30 -14.306 3.863 9.178 1.00 0.00 C ATOM 403 O SER A 30 -13.361 3.191 8.766 1.00 0.00 O ATOM 404 CB SER A 30 -15.584 5.472 7.751 1.00 0.00 C ATOM 405 OG SER A 30 -16.292 6.688 7.923 1.00 0.00 O ATOM 0 H SER A 30 -12.664 5.218 7.739 1.00 0.00 H new ATOM 0 HA SER A 30 -14.747 5.892 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.154 5.436 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.273 4.631 7.832 1.00 0.00 H new ATOM 0 HG SER A 30 -15.695 7.362 8.309 1.00 0.00 H new ATOM 411 N PRO A 31 -15.246 3.354 9.989 1.00 0.00 N ATOM 412 CA PRO A 31 -15.226 1.962 10.448 1.00 0.00 C ATOM 413 C PRO A 31 -15.523 0.977 9.323 1.00 0.00 C ATOM 414 O PRO A 31 -15.578 -0.234 9.541 1.00 0.00 O ATOM 415 CB PRO A 31 -16.335 1.920 11.502 1.00 0.00 C ATOM 416 CG PRO A 31 -17.262 3.023 11.121 1.00 0.00 C ATOM 417 CD PRO A 31 -16.401 4.099 10.519 1.00 0.00 C ATOM 0 HA PRO A 31 -14.247 1.672 10.828 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.845 0.957 11.502 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.934 2.068 12.505 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.009 2.676 10.407 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.802 3.397 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.926 4.640 9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.097 4.835 11.264 1.00 0.00 H new ATOM 425 N THR A 32 -15.714 1.503 8.116 1.00 0.00 N ATOM 426 CA THR A 32 -16.006 0.669 6.957 1.00 0.00 C ATOM 427 C THR A 32 -15.116 1.039 5.776 1.00 0.00 C ATOM 428 O THR A 32 -15.191 0.422 4.713 1.00 0.00 O ATOM 429 CB THR A 32 -17.481 0.795 6.532 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.755 2.133 6.102 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.408 0.426 7.681 1.00 0.00 C ATOM 0 H THR A 32 -15.672 2.502 7.917 1.00 0.00 H new ATOM 0 HA THR A 32 -15.807 -0.362 7.251 1.00 0.00 H new ATOM 0 HB THR A 32 -17.659 0.106 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.694 2.204 5.832 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.444 0.522 7.358 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.217 -0.603 7.986 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.227 1.094 8.523 1.00 0.00 H new ATOM 439 N SER A 33 -14.273 2.048 5.969 1.00 0.00 N ATOM 440 CA SER A 33 -13.370 2.502 4.918 1.00 0.00 C ATOM 441 C SER A 33 -12.026 2.927 5.502 1.00 0.00 C ATOM 442 O SER A 33 -11.872 3.033 6.719 1.00 0.00 O ATOM 443 CB SER A 33 -13.995 3.666 4.147 1.00 0.00 C ATOM 444 OG SER A 33 -13.862 4.882 4.864 1.00 0.00 O ATOM 0 H SER A 33 -14.196 2.567 6.844 1.00 0.00 H new ATOM 0 HA SER A 33 -13.202 1.671 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.516 3.760 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.050 3.461 3.965 1.00 0.00 H new ATOM 0 HG SER A 33 -14.268 5.611 4.350 1.00 0.00 H new ATOM 450 N ILE A 34 -11.057 3.167 4.626 1.00 0.00 N ATOM 451 CA ILE A 34 -9.726 3.581 5.054 1.00 0.00 C ATOM 452 C ILE A 34 -9.089 4.521 4.036 1.00 0.00 C ATOM 453 O ILE A 34 -9.133 4.272 2.831 1.00 0.00 O ATOM 454 CB ILE A 34 -8.801 2.369 5.267 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.313 1.504 6.421 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.376 2.831 5.536 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.670 0.137 6.483 1.00 0.00 C ATOM 0 H ILE A 34 -11.168 3.082 3.616 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.848 4.105 6.002 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.802 1.766 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.133 2.024 7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.392 1.385 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.734 1.963 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.014 3.409 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.358 3.453 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.081 -0.420 7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.872 -0.402 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.593 0.247 6.611 1.00 0.00 H new ATOM 469 N THR A 35 -8.494 5.603 4.529 1.00 0.00 N ATOM 470 CA THR A 35 -7.846 6.580 3.663 1.00 0.00 C ATOM 471 C THR A 35 -6.328 6.462 3.740 1.00 0.00 C ATOM 472 O THR A 35 -5.754 6.399 4.827 1.00 0.00 O ATOM 473 CB THR A 35 -8.257 8.018 4.033 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.662 8.195 3.823 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.483 9.032 3.203 1.00 0.00 C ATOM 0 H THR A 35 -8.448 5.825 5.524 1.00 0.00 H new ATOM 0 HA THR A 35 -8.173 6.366 2.645 1.00 0.00 H new ATOM 0 HB THR A 35 -8.024 8.180 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.916 9.111 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.790 10.040 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.415 8.914 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.689 8.869 2.145 1.00 0.00 H new ATOM 483 N VAL A 36 -5.682 6.432 2.578 1.00 0.00 N ATOM 484 CA VAL A 36 -4.229 6.324 2.514 1.00 0.00 C ATOM 485 C VAL A 36 -3.630 7.453 1.684 1.00 0.00 C ATOM 486 O VAL A 36 -4.069 7.718 0.565 1.00 0.00 O ATOM 487 CB VAL A 36 -3.794 4.974 1.914 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.279 4.842 1.940 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.450 3.822 2.660 1.00 0.00 C ATOM 0 H VAL A 36 -6.142 6.481 1.669 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.860 6.395 3.537 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.121 4.936 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.990 3.882 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.833 5.648 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.926 4.901 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.131 2.876 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.156 3.854 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.534 3.910 2.584 1.00 0.00 H new ATOM 499 N THR A 37 -2.622 8.118 2.241 1.00 0.00 N ATOM 500 CA THR A 37 -1.962 9.221 1.553 1.00 0.00 C ATOM 501 C THR A 37 -0.464 8.969 1.422 1.00 0.00 C ATOM 502 O THR A 37 0.195 8.574 2.384 1.00 0.00 O ATOM 503 CB THR A 37 -2.183 10.555 2.289 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.682 10.466 3.627 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.661 10.918 2.319 1.00 0.00 C ATOM 0 H THR A 37 -2.245 7.912 3.166 1.00 0.00 H new ATOM 0 HA THR A 37 -2.406 9.285 0.560 1.00 0.00 H new ATOM 0 HB THR A 37 -1.644 11.335 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.825 11.319 4.087 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.793 11.864 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.033 11.014 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.217 10.136 2.836 1.00 0.00 H new ATOM 513 N TRP A 38 0.067 9.199 0.227 1.00 0.00 N ATOM 514 CA TRP A 38 1.489 8.997 -0.029 1.00 0.00 C ATOM 515 C TRP A 38 2.047 10.110 -0.910 1.00 0.00 C ATOM 516 O TRP A 38 1.293 10.876 -1.508 1.00 0.00 O ATOM 517 CB TRP A 38 1.721 7.639 -0.694 1.00 0.00 C ATOM 518 CG TRP A 38 1.035 7.503 -2.020 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.504 7.920 -3.233 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.245 6.909 -2.266 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.594 7.622 -4.217 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.487 7.001 -3.651 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.208 6.307 -1.452 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.653 6.514 -4.235 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.365 5.825 -2.034 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.579 5.930 -3.415 1.00 0.00 C ATOM 0 H TRP A 38 -0.465 9.525 -0.580 1.00 0.00 H new ATOM 0 HA TRP A 38 2.011 9.019 0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.792 7.487 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.369 6.851 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.452 8.412 -3.395 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.705 7.830 -5.209 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.051 6.220 -0.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.821 6.595 -5.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.117 5.360 -1.414 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.493 5.542 -3.840 1.00 0.00 H new ATOM 537 N GLU A 39 3.372 10.192 -0.983 1.00 0.00 N ATOM 538 CA GLU A 39 4.029 11.213 -1.791 1.00 0.00 C ATOM 539 C GLU A 39 4.841 10.578 -2.916 1.00 0.00 C ATOM 540 O GLU A 39 5.106 9.375 -2.904 1.00 0.00 O ATOM 541 CB GLU A 39 4.939 12.079 -0.917 1.00 0.00 C ATOM 542 CG GLU A 39 4.203 13.188 -0.184 1.00 0.00 C ATOM 543 CD GLU A 39 4.019 14.429 -1.036 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.785 14.282 -2.254 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.108 15.546 -0.485 1.00 0.00 O ATOM 0 H GLU A 39 4.010 9.565 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 39 3.257 11.842 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.440 11.443 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.715 12.521 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.227 12.822 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.755 13.450 0.719 1.00 0.00 H new ATOM 552 N THR A 40 5.234 11.394 -3.889 1.00 0.00 N ATOM 553 CA THR A 40 6.013 10.913 -5.022 1.00 0.00 C ATOM 554 C THR A 40 7.503 10.902 -4.699 1.00 0.00 C ATOM 555 O THR A 40 8.055 11.865 -4.167 1.00 0.00 O ATOM 556 CB THR A 40 5.777 11.779 -6.274 1.00 0.00 C ATOM 557 OG1 THR A 40 4.488 11.498 -6.829 1.00 0.00 O ATOM 558 CG2 THR A 40 6.852 11.522 -7.320 1.00 0.00 C ATOM 0 H THR A 40 5.025 12.392 -3.915 1.00 0.00 H new ATOM 0 HA THR A 40 5.680 9.895 -5.225 1.00 0.00 H new ATOM 0 HB THR A 40 5.823 12.827 -5.977 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.543 10.702 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.665 12.144 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.830 11.765 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.833 10.472 -7.611 1.00 0.00 H new ATOM 566 N PRO A 41 8.172 9.787 -5.029 1.00 0.00 N ATOM 567 CA PRO A 41 9.608 9.624 -4.784 1.00 0.00 C ATOM 568 C PRO A 41 10.455 10.516 -5.686 1.00 0.00 C ATOM 569 O PRO A 41 10.468 10.349 -6.905 1.00 0.00 O ATOM 570 CB PRO A 41 9.858 8.148 -5.105 1.00 0.00 C ATOM 571 CG PRO A 41 8.776 7.781 -6.061 1.00 0.00 C ATOM 572 CD PRO A 41 7.578 8.600 -5.666 1.00 0.00 C ATOM 0 HA PRO A 41 9.882 9.906 -3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.844 8.000 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.816 7.534 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.073 7.995 -7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.554 6.715 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.972 8.869 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.929 8.057 -4.979 1.00 0.00 H new ATOM 580 N VAL A 42 11.161 11.464 -5.078 1.00 0.00 N ATOM 581 CA VAL A 42 12.012 12.381 -5.826 1.00 0.00 C ATOM 582 C VAL A 42 12.990 11.622 -6.716 1.00 0.00 C ATOM 583 O VAL A 42 13.263 12.030 -7.845 1.00 0.00 O ATOM 584 CB VAL A 42 12.805 13.306 -4.884 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.864 14.049 -3.948 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.834 12.509 -4.096 1.00 0.00 C ATOM 0 H VAL A 42 11.160 11.617 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 42 11.353 12.987 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 42 13.335 14.043 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.442 14.698 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.170 14.652 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.304 13.331 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.385 13.179 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.328 11.749 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.528 12.028 -4.786 1.00 0.00 H new ATOM 596 N SER A 43 13.514 10.515 -6.200 1.00 0.00 N ATOM 597 CA SER A 43 14.465 9.699 -6.947 1.00 0.00 C ATOM 598 C SER A 43 13.742 8.629 -7.759 1.00 0.00 C ATOM 599 O SER A 43 13.139 7.713 -7.202 1.00 0.00 O ATOM 600 CB SER A 43 15.466 9.043 -5.994 1.00 0.00 C ATOM 601 OG SER A 43 14.835 8.062 -5.189 1.00 0.00 O ATOM 0 H SER A 43 13.296 10.162 -5.268 1.00 0.00 H new ATOM 0 HA SER A 43 15.003 10.351 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.272 8.584 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.920 9.803 -5.358 1.00 0.00 H new ATOM 0 HG SER A 43 14.125 7.624 -5.703 1.00 0.00 H new ATOM 607 N GLY A 44 13.807 8.752 -9.081 1.00 0.00 N ATOM 608 CA GLY A 44 13.155 7.790 -9.950 1.00 0.00 C ATOM 609 C GLY A 44 13.563 7.949 -11.401 1.00 0.00 C ATOM 610 O GLY A 44 14.096 8.986 -11.793 1.00 0.00 O ATOM 0 H GLY A 44 14.300 9.502 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.397 6.781 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.074 7.903 -9.865 1.00 0.00 H new ATOM 614 N ASN A 45 13.314 6.916 -12.200 1.00 0.00 N ATOM 615 CA ASN A 45 13.661 6.945 -13.616 1.00 0.00 C ATOM 616 C ASN A 45 12.433 7.241 -14.472 1.00 0.00 C ATOM 617 O ASN A 45 11.455 6.495 -14.451 1.00 0.00 O ATOM 618 CB ASN A 45 14.281 5.611 -14.038 1.00 0.00 C ATOM 619 CG ASN A 45 15.662 5.403 -13.446 1.00 0.00 C ATOM 620 OD1 ASN A 45 15.800 4.953 -12.309 1.00 0.00 O ATOM 621 ND2 ASN A 45 16.692 5.730 -14.218 1.00 0.00 N ATOM 0 H ASN A 45 12.874 6.049 -11.891 1.00 0.00 H new ATOM 0 HA ASN A 45 14.389 7.742 -13.769 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.628 4.795 -13.727 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.345 5.571 -15.125 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.645 5.611 -13.874 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.530 6.100 -15.155 1.00 0.00 H new ATOM 628 N GLY A 46 12.492 8.335 -15.225 1.00 0.00 N ATOM 629 CA GLY A 46 11.379 8.710 -16.077 1.00 0.00 C ATOM 630 C GLY A 46 10.169 9.163 -15.285 1.00 0.00 C ATOM 631 O GLY A 46 10.298 9.614 -14.148 1.00 0.00 O ATOM 0 H GLY A 46 13.291 8.968 -15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.692 9.511 -16.746 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.103 7.861 -16.703 1.00 0.00 H new ATOM 635 N GLU A 47 8.990 9.045 -15.888 1.00 0.00 N ATOM 636 CA GLU A 47 7.753 9.449 -15.231 1.00 0.00 C ATOM 637 C GLU A 47 6.980 8.232 -14.731 1.00 0.00 C ATOM 638 O GLU A 47 7.089 7.141 -15.291 1.00 0.00 O ATOM 639 CB GLU A 47 6.881 10.261 -16.192 1.00 0.00 C ATOM 640 CG GLU A 47 6.136 9.408 -17.205 1.00 0.00 C ATOM 641 CD GLU A 47 6.993 9.039 -18.400 1.00 0.00 C ATOM 642 OE1 GLU A 47 7.641 9.944 -18.967 1.00 0.00 O ATOM 643 OE2 GLU A 47 7.018 7.846 -18.768 1.00 0.00 O ATOM 0 H GLU A 47 8.866 8.673 -16.830 1.00 0.00 H new ATOM 0 HA GLU A 47 8.013 10.070 -14.374 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.159 10.838 -15.615 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.509 10.976 -16.723 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.785 8.497 -16.719 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.253 9.947 -17.549 1.00 0.00 H new ATOM 650 N ILE A 48 6.201 8.428 -13.673 1.00 0.00 N ATOM 651 CA ILE A 48 5.410 7.347 -13.097 1.00 0.00 C ATOM 652 C ILE A 48 4.152 7.088 -13.919 1.00 0.00 C ATOM 653 O ILE A 48 3.252 7.925 -13.975 1.00 0.00 O ATOM 654 CB ILE A 48 5.004 7.659 -11.644 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.243 7.967 -10.801 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.228 6.493 -11.049 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.101 6.753 -10.521 1.00 0.00 C ATOM 0 H ILE A 48 6.100 9.325 -13.197 1.00 0.00 H new ATOM 0 HA ILE A 48 6.038 6.456 -13.107 1.00 0.00 H new ATOM 0 HB ILE A 48 4.359 8.538 -11.643 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.845 8.716 -11.315 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.928 8.406 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.948 6.728 -10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.329 6.316 -11.639 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.851 5.598 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.961 7.046 -9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.515 6.010 -9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.446 6.326 -11.463 1.00 0.00 H new ATOM 669 N GLN A 49 4.098 5.922 -14.555 1.00 0.00 N ATOM 670 CA GLN A 49 2.949 5.552 -15.374 1.00 0.00 C ATOM 671 C GLN A 49 1.674 5.514 -14.538 1.00 0.00 C ATOM 672 O GLN A 49 0.681 6.157 -14.874 1.00 0.00 O ATOM 673 CB GLN A 49 3.182 4.191 -16.031 1.00 0.00 C ATOM 674 CG GLN A 49 4.053 4.257 -17.276 1.00 0.00 C ATOM 675 CD GLN A 49 3.744 3.150 -18.264 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.752 1.970 -17.915 1.00 0.00 O ATOM 677 NE2 GLN A 49 3.469 3.527 -19.508 1.00 0.00 N ATOM 0 H GLN A 49 4.835 5.218 -14.519 1.00 0.00 H new ATOM 0 HA GLN A 49 2.830 6.307 -16.151 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.648 3.522 -15.307 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.219 3.754 -16.294 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.912 5.222 -17.762 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.102 4.196 -16.985 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.474 4.517 -19.754 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.253 2.826 -20.217 1.00 0.00 H new ATOM 686 N ASN A 50 1.710 4.756 -13.446 1.00 0.00 N ATOM 687 CA ASN A 50 0.556 4.634 -12.563 1.00 0.00 C ATOM 688 C ASN A 50 0.987 4.209 -11.162 1.00 0.00 C ATOM 689 O ASN A 50 2.117 3.766 -10.956 1.00 0.00 O ATOM 690 CB ASN A 50 -0.442 3.623 -13.130 1.00 0.00 C ATOM 691 CG ASN A 50 -1.799 3.711 -12.458 1.00 0.00 C ATOM 692 OD1 ASN A 50 -2.536 4.678 -12.649 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.134 2.699 -11.667 1.00 0.00 N ATOM 0 H ASN A 50 2.525 4.218 -13.152 1.00 0.00 H new ATOM 0 HA ASN A 50 0.075 5.610 -12.497 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.558 3.792 -14.200 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.044 2.616 -13.008 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.035 2.703 -11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.491 1.918 -11.538 1.00 0.00 H new ATOM 700 N TYR A 51 0.079 4.347 -10.203 1.00 0.00 N ATOM 701 CA TYR A 51 0.364 3.979 -8.821 1.00 0.00 C ATOM 702 C TYR A 51 -0.476 2.781 -8.391 1.00 0.00 C ATOM 703 O TYR A 51 -1.702 2.795 -8.501 1.00 0.00 O ATOM 704 CB TYR A 51 0.098 5.163 -7.890 1.00 0.00 C ATOM 705 CG TYR A 51 1.187 6.211 -7.916 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.504 5.879 -7.623 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.900 7.533 -8.232 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.504 6.833 -7.644 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.893 8.493 -8.257 1.00 0.00 C ATOM 710 CZ TYR A 51 3.193 8.138 -7.963 1.00 0.00 C ATOM 711 OH TYR A 51 4.185 9.092 -7.985 1.00 0.00 O ATOM 0 H TYR A 51 -0.861 4.711 -10.357 1.00 0.00 H new ATOM 0 HA TYR A 51 1.417 3.703 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.848 5.627 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.015 4.794 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.751 4.857 -7.374 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.117 7.815 -8.462 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.522 6.558 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.653 9.516 -8.505 1.00 0.00 H new ATOM 0 HH TYR A 51 4.140 9.591 -8.827 1.00 0.00 H new ATOM 721 N LYS A 52 0.193 1.743 -7.900 1.00 0.00 N ATOM 722 CA LYS A 52 -0.490 0.536 -7.450 1.00 0.00 C ATOM 723 C LYS A 52 -0.657 0.537 -5.934 1.00 0.00 C ATOM 724 O LYS A 52 0.321 0.642 -5.192 1.00 0.00 O ATOM 725 CB LYS A 52 0.289 -0.708 -7.887 1.00 0.00 C ATOM 726 CG LYS A 52 -0.575 -1.949 -8.023 1.00 0.00 C ATOM 727 CD LYS A 52 -1.125 -2.095 -9.432 1.00 0.00 C ATOM 728 CE LYS A 52 -2.115 -0.988 -9.762 1.00 0.00 C ATOM 729 NZ LYS A 52 -2.808 -1.232 -11.057 1.00 0.00 N ATOM 0 H LYS A 52 1.208 1.714 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.480 0.518 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.773 -0.506 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.080 -0.904 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.012 -2.831 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.400 -1.898 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.304 -2.075 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.614 -3.064 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.853 -0.911 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.591 -0.033 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.302 -0.367 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.109 -1.498 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.497 -2.002 -10.942 1.00 0.00 H new ATOM 743 N LEU A 53 -1.899 0.418 -5.480 1.00 0.00 N ATOM 744 CA LEU A 53 -2.194 0.404 -4.051 1.00 0.00 C ATOM 745 C LEU A 53 -2.750 -0.950 -3.623 1.00 0.00 C ATOM 746 O LEU A 53 -3.848 -1.337 -4.025 1.00 0.00 O ATOM 747 CB LEU A 53 -3.192 1.511 -3.706 1.00 0.00 C ATOM 748 CG LEU A 53 -3.861 1.407 -2.334 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.843 1.628 -1.226 1.00 0.00 C ATOM 750 CD2 LEU A 53 -5.002 2.407 -2.220 1.00 0.00 C ATOM 0 H LEU A 53 -2.719 0.330 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.264 0.581 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.676 2.469 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.971 1.521 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.272 0.403 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.337 1.550 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.060 0.873 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.402 2.619 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.466 2.319 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.614 3.418 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.744 2.202 -2.992 1.00 0.00 H new ATOM 762 N TYR A 54 -1.987 -1.665 -2.804 1.00 0.00 N ATOM 763 CA TYR A 54 -2.403 -2.976 -2.322 1.00 0.00 C ATOM 764 C TYR A 54 -3.163 -2.856 -1.004 1.00 0.00 C ATOM 765 O TYR A 54 -3.039 -1.859 -0.292 1.00 0.00 O ATOM 766 CB TYR A 54 -1.187 -3.886 -2.140 1.00 0.00 C ATOM 767 CG TYR A 54 -0.453 -4.179 -3.429 1.00 0.00 C ATOM 768 CD1 TYR A 54 0.160 -3.162 -4.150 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.371 -5.475 -3.925 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.831 -3.426 -5.329 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.299 -5.748 -5.102 1.00 0.00 C ATOM 772 CZ TYR A 54 0.898 -4.720 -5.800 1.00 0.00 C ATOM 773 OH TYR A 54 1.566 -4.987 -6.973 1.00 0.00 O ATOM 0 H TYR A 54 -1.077 -1.358 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.068 -3.414 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.497 -3.420 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.511 -4.826 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.111 -2.147 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.839 -6.282 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.300 -2.623 -5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.353 -6.761 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 54 1.521 -5.947 -7.164 1.00 0.00 H new ATOM 783 N TYR A 55 -3.948 -3.879 -0.686 1.00 0.00 N ATOM 784 CA TYR A 55 -4.730 -3.888 0.544 1.00 0.00 C ATOM 785 C TYR A 55 -5.177 -5.304 0.895 1.00 0.00 C ATOM 786 O TYR A 55 -5.607 -6.064 0.027 1.00 0.00 O ATOM 787 CB TYR A 55 -5.950 -2.976 0.405 1.00 0.00 C ATOM 788 CG TYR A 55 -7.028 -3.539 -0.493 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.849 -3.601 -1.870 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.224 -4.009 0.034 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.831 -4.114 -2.695 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.211 -4.525 -0.784 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.010 -4.575 -2.148 1.00 0.00 C ATOM 794 OH TYR A 55 -9.991 -5.087 -2.965 1.00 0.00 O ATOM 0 H TYR A 55 -4.060 -4.713 -1.263 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.097 -3.516 1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.371 -2.794 1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.629 -2.011 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.927 -3.242 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.385 -3.971 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.676 -4.154 -3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.135 -4.887 -0.358 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.756 -5.368 -2.421 1.00 0.00 H new ATOM 804 N MET A 56 -5.072 -5.652 2.173 1.00 0.00 N ATOM 805 CA MET A 56 -5.467 -6.976 2.640 1.00 0.00 C ATOM 806 C MET A 56 -5.805 -6.949 4.127 1.00 0.00 C ATOM 807 O MET A 56 -5.430 -6.020 4.841 1.00 0.00 O ATOM 808 CB MET A 56 -4.349 -7.987 2.378 1.00 0.00 C ATOM 809 CG MET A 56 -3.399 -8.161 3.552 1.00 0.00 C ATOM 810 SD MET A 56 -1.885 -9.028 3.097 1.00 0.00 S ATOM 811 CE MET A 56 -1.639 -10.059 4.541 1.00 0.00 C ATOM 0 H MET A 56 -4.717 -5.036 2.904 1.00 0.00 H new ATOM 0 HA MET A 56 -6.357 -7.278 2.088 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.793 -8.952 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.780 -7.669 1.505 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.145 -7.181 3.957 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.905 -8.712 4.345 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.860 -10.793 4.336 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.339 -9.438 5.385 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.568 -10.575 4.782 1.00 0.00 H new ATOM 821 N GLU A 57 -6.517 -7.974 4.586 1.00 0.00 N ATOM 822 CA GLU A 57 -6.907 -8.065 5.988 1.00 0.00 C ATOM 823 C GLU A 57 -5.901 -8.897 6.779 1.00 0.00 C ATOM 824 O GLU A 57 -5.805 -10.111 6.601 1.00 0.00 O ATOM 825 CB GLU A 57 -8.303 -8.679 6.114 1.00 0.00 C ATOM 826 CG GLU A 57 -8.717 -8.961 7.548 1.00 0.00 C ATOM 827 CD GLU A 57 -9.665 -10.139 7.661 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.636 -10.195 6.878 1.00 0.00 O ATOM 829 OE2 GLU A 57 -9.436 -11.004 8.531 1.00 0.00 O ATOM 0 H GLU A 57 -6.835 -8.752 4.008 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.923 -7.056 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.030 -8.004 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.334 -9.609 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.828 -9.156 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.194 -8.074 7.965 1.00 0.00 H new ATOM 836 N LYS A 58 -5.151 -8.234 7.653 1.00 0.00 N ATOM 837 CA LYS A 58 -4.152 -8.909 8.473 1.00 0.00 C ATOM 838 C LYS A 58 -4.610 -10.318 8.838 1.00 0.00 C ATOM 839 O LYS A 58 -5.475 -10.498 9.694 1.00 0.00 O ATOM 840 CB LYS A 58 -3.879 -8.105 9.746 1.00 0.00 C ATOM 841 CG LYS A 58 -2.467 -8.273 10.280 1.00 0.00 C ATOM 842 CD LYS A 58 -1.476 -7.409 9.519 1.00 0.00 C ATOM 843 CE LYS A 58 -0.053 -7.629 10.009 1.00 0.00 C ATOM 844 NZ LYS A 58 0.491 -8.942 9.563 1.00 0.00 N ATOM 0 H LYS A 58 -5.216 -7.229 7.812 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.232 -8.983 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.059 -7.049 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.588 -8.408 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.443 -8.010 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.171 -9.319 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.535 -7.637 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.743 -6.359 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.586 -6.827 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.032 -7.578 11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.489 -9.018 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.053 -9.711 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.417 -9.015 8.528 1.00 0.00 H new ATOM 858 N GLY A 59 -4.022 -11.315 8.183 1.00 0.00 N ATOM 859 CA GLY A 59 -4.382 -12.694 8.453 1.00 0.00 C ATOM 860 C GLY A 59 -4.728 -13.461 7.193 1.00 0.00 C ATOM 861 O GLY A 59 -4.377 -14.633 7.053 1.00 0.00 O ATOM 0 H GLY A 59 -3.303 -11.192 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.554 -13.190 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.233 -12.717 9.134 1.00 0.00 H new ATOM 865 N THR A 60 -5.420 -12.800 6.270 1.00 0.00 N ATOM 866 CA THR A 60 -5.817 -13.427 5.016 1.00 0.00 C ATOM 867 C THR A 60 -4.610 -14.006 4.286 1.00 0.00 C ATOM 868 O THR A 60 -4.729 -14.987 3.551 1.00 0.00 O ATOM 869 CB THR A 60 -6.532 -12.426 4.089 1.00 0.00 C ATOM 870 OG1 THR A 60 -7.190 -11.421 4.868 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.548 -13.137 3.207 1.00 0.00 C ATOM 0 H THR A 60 -5.717 -11.829 6.368 1.00 0.00 H new ATOM 0 HA THR A 60 -6.507 -14.232 5.269 1.00 0.00 H new ATOM 0 HB THR A 60 -5.784 -11.957 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.533 -10.759 5.170 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.041 -12.410 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.040 -13.882 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.292 -13.629 3.833 1.00 0.00 H new ATOM 879 N ASP A 61 -3.450 -13.394 4.492 1.00 0.00 N ATOM 880 CA ASP A 61 -2.220 -13.850 3.854 1.00 0.00 C ATOM 881 C ASP A 61 -2.309 -13.706 2.338 1.00 0.00 C ATOM 882 O ASP A 61 -1.630 -14.415 1.595 1.00 0.00 O ATOM 883 CB ASP A 61 -1.938 -15.307 4.225 1.00 0.00 C ATOM 884 CG ASP A 61 -1.735 -15.496 5.715 1.00 0.00 C ATOM 885 OD1 ASP A 61 -1.297 -14.535 6.381 1.00 0.00 O ATOM 886 OD2 ASP A 61 -2.012 -16.606 6.216 1.00 0.00 O ATOM 0 H ASP A 61 -3.335 -12.580 5.096 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.401 -13.227 4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.768 -15.931 3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.050 -15.649 3.694 1.00 0.00 H new ATOM 891 N LYS A 62 -3.152 -12.784 1.885 1.00 0.00 N ATOM 892 CA LYS A 62 -3.330 -12.546 0.458 1.00 0.00 C ATOM 893 C LYS A 62 -3.728 -11.097 0.194 1.00 0.00 C ATOM 894 O LYS A 62 -4.778 -10.640 0.645 1.00 0.00 O ATOM 895 CB LYS A 62 -4.394 -13.489 -0.109 1.00 0.00 C ATOM 896 CG LYS A 62 -3.832 -14.806 -0.614 1.00 0.00 C ATOM 897 CD LYS A 62 -3.441 -14.721 -2.080 1.00 0.00 C ATOM 898 CE LYS A 62 -2.629 -15.932 -2.512 1.00 0.00 C ATOM 899 NZ LYS A 62 -1.295 -15.970 -1.850 1.00 0.00 N ATOM 0 H LYS A 62 -3.723 -12.189 2.486 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.379 -12.740 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.136 -13.692 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.913 -12.988 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.961 -15.082 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.573 -15.594 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.339 -14.646 -2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.862 -13.814 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.179 -16.842 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.497 -15.914 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.670 -16.622 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.879 -15.017 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.403 -16.298 -0.869 1.00 0.00 H new ATOM 913 N GLU A 63 -2.883 -10.380 -0.541 1.00 0.00 N ATOM 914 CA GLU A 63 -3.149 -8.984 -0.865 1.00 0.00 C ATOM 915 C GLU A 63 -3.624 -8.841 -2.308 1.00 0.00 C ATOM 916 O GLU A 63 -3.364 -9.704 -3.146 1.00 0.00 O ATOM 917 CB GLU A 63 -1.893 -8.138 -0.644 1.00 0.00 C ATOM 918 CG GLU A 63 -0.856 -8.288 -1.745 1.00 0.00 C ATOM 919 CD GLU A 63 -0.011 -9.536 -1.586 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.668 -9.665 -0.546 1.00 0.00 O ATOM 921 OE2 GLU A 63 -0.030 -10.386 -2.501 1.00 0.00 O ATOM 0 H GLU A 63 -2.010 -10.743 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.939 -8.629 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.180 -7.089 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.442 -8.415 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.359 -8.316 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.207 -7.413 -1.749 1.00 0.00 H new ATOM 928 N GLN A 64 -4.321 -7.744 -2.590 1.00 0.00 N ATOM 929 CA GLN A 64 -4.833 -7.489 -3.931 1.00 0.00 C ATOM 930 C GLN A 64 -4.166 -6.262 -4.544 1.00 0.00 C ATOM 931 O GLN A 64 -3.248 -5.686 -3.960 1.00 0.00 O ATOM 932 CB GLN A 64 -6.350 -7.293 -3.891 1.00 0.00 C ATOM 933 CG GLN A 64 -7.104 -8.495 -3.347 1.00 0.00 C ATOM 934 CD GLN A 64 -8.472 -8.129 -2.805 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.498 -8.523 -3.360 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.494 -7.370 -1.716 1.00 0.00 N ATOM 0 H GLN A 64 -4.544 -7.019 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.601 -8.354 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.579 -6.422 -3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.707 -7.076 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.217 -9.237 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.516 -8.960 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.619 -7.066 -1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.386 -7.091 -1.307 1.00 0.00 H new ATOM 945 N ASP A 65 -4.632 -5.869 -5.724 1.00 0.00 N ATOM 946 CA ASP A 65 -4.081 -4.710 -6.416 1.00 0.00 C ATOM 947 C ASP A 65 -5.190 -3.886 -7.064 1.00 0.00 C ATOM 948 O ASP A 65 -6.041 -4.421 -7.774 1.00 0.00 O ATOM 949 CB ASP A 65 -3.073 -5.154 -7.476 1.00 0.00 C ATOM 950 CG ASP A 65 -3.731 -5.467 -8.806 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.247 -4.528 -9.448 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.731 -6.651 -9.204 1.00 0.00 O ATOM 0 H ASP A 65 -5.390 -6.336 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.572 -4.087 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.330 -4.369 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.541 -6.037 -7.120 1.00 0.00 H new ATOM 957 N VAL A 66 -5.173 -2.580 -6.814 1.00 0.00 N ATOM 958 CA VAL A 66 -6.177 -1.682 -7.372 1.00 0.00 C ATOM 959 C VAL A 66 -5.523 -0.499 -8.078 1.00 0.00 C ATOM 960 O VAL A 66 -4.544 0.064 -7.589 1.00 0.00 O ATOM 961 CB VAL A 66 -7.127 -1.154 -6.281 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.975 -2.285 -5.719 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.340 -0.467 -5.176 1.00 0.00 C ATOM 0 H VAL A 66 -4.475 -2.121 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.753 -2.260 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.795 -0.419 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.640 -1.893 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.567 -2.728 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.326 -3.045 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.027 -0.100 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.646 -1.178 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.781 0.370 -5.594 1.00 0.00 H new ATOM 973 N ASP A 67 -6.073 -0.127 -9.229 1.00 0.00 N ATOM 974 CA ASP A 67 -5.544 0.991 -10.001 1.00 0.00 C ATOM 975 C ASP A 67 -5.886 2.321 -9.337 1.00 0.00 C ATOM 976 O ASP A 67 -7.054 2.619 -9.085 1.00 0.00 O ATOM 977 CB ASP A 67 -6.100 0.962 -11.426 1.00 0.00 C ATOM 978 CG ASP A 67 -5.285 1.810 -12.383 1.00 0.00 C ATOM 979 OD1 ASP A 67 -5.510 3.037 -12.426 1.00 0.00 O ATOM 980 OD2 ASP A 67 -4.423 1.246 -13.090 1.00 0.00 O ATOM 0 H ASP A 67 -6.884 -0.583 -9.647 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.459 0.893 -10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.120 -0.067 -11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.131 1.317 -11.418 1.00 0.00 H new ATOM 985 N VAL A 68 -4.860 3.117 -9.053 1.00 0.00 N ATOM 986 CA VAL A 68 -5.051 4.415 -8.418 1.00 0.00 C ATOM 987 C VAL A 68 -4.301 5.510 -9.168 1.00 0.00 C ATOM 988 O VAL A 68 -3.089 5.423 -9.364 1.00 0.00 O ATOM 989 CB VAL A 68 -4.580 4.396 -6.951 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.725 5.776 -6.326 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.355 3.357 -6.156 1.00 0.00 C ATOM 0 H VAL A 68 -3.887 2.885 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.120 4.627 -8.446 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.525 4.123 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.388 5.743 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.121 6.493 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.771 6.082 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.009 3.357 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.418 3.597 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.194 2.371 -6.592 1.00 0.00 H new ATOM 1001 N SER A 69 -5.030 6.540 -9.584 1.00 0.00 N ATOM 1002 CA SER A 69 -4.434 7.652 -10.315 1.00 0.00 C ATOM 1003 C SER A 69 -4.434 8.922 -9.469 1.00 0.00 C ATOM 1004 O SER A 69 -4.638 10.022 -9.982 1.00 0.00 O ATOM 1005 CB SER A 69 -5.193 7.896 -11.621 1.00 0.00 C ATOM 1006 OG SER A 69 -4.788 6.981 -12.625 1.00 0.00 O ATOM 0 H SER A 69 -6.034 6.628 -9.427 1.00 0.00 H new ATOM 0 HA SER A 69 -3.401 7.391 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.264 7.798 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.017 8.916 -11.962 1.00 0.00 H new ATOM 0 HG SER A 69 -4.120 6.366 -12.257 1.00 0.00 H new ATOM 1012 N SER A 70 -4.205 8.760 -8.170 1.00 0.00 N ATOM 1013 CA SER A 70 -4.183 9.891 -7.251 1.00 0.00 C ATOM 1014 C SER A 70 -3.276 9.604 -6.058 1.00 0.00 C ATOM 1015 O SER A 70 -3.167 8.464 -5.606 1.00 0.00 O ATOM 1016 CB SER A 70 -5.598 10.209 -6.765 1.00 0.00 C ATOM 1017 OG SER A 70 -6.466 10.466 -7.855 1.00 0.00 O ATOM 0 H SER A 70 -4.032 7.856 -7.730 1.00 0.00 H new ATOM 0 HA SER A 70 -3.788 10.754 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.981 9.373 -6.180 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.573 11.075 -6.104 1.00 0.00 H new ATOM 0 HG SER A 70 -7.364 10.665 -7.518 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.626 10.648 -5.552 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.729 10.509 -4.410 1.00 0.00 C ATOM 1025 C HIS A 71 -2.451 9.877 -3.225 1.00 0.00 C ATOM 1026 O HIS A 71 -1.848 9.154 -2.431 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.164 11.873 -4.010 1.00 0.00 C ATOM 1028 CG HIS A 71 0.074 12.253 -4.763 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.271 13.506 -5.303 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.183 11.536 -5.062 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.447 13.543 -5.904 1.00 0.00 C ATOM 1032 NE2 HIS A 71 2.021 12.361 -5.771 1.00 0.00 N ATOM 0 H HIS A 71 -2.704 11.598 -5.914 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.908 9.855 -4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.926 12.635 -4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.943 11.867 -2.943 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.373 10.507 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.868 14.395 -6.417 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.938 12.103 -6.136 1.00 0.00 H new ATOM 1041 N SER A 72 -3.746 10.154 -3.110 1.00 0.00 N ATOM 1042 CA SER A 72 -4.549 9.616 -2.019 1.00 0.00 C ATOM 1043 C SER A 72 -5.697 8.766 -2.556 1.00 0.00 C ATOM 1044 O SER A 72 -6.202 9.008 -3.653 1.00 0.00 O ATOM 1045 CB SER A 72 -5.102 10.752 -1.155 1.00 0.00 C ATOM 1046 OG SER A 72 -6.014 11.551 -1.888 1.00 0.00 O ATOM 0 H SER A 72 -4.261 10.748 -3.759 1.00 0.00 H new ATOM 0 HA SER A 72 -3.906 8.983 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.600 10.337 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.281 11.371 -0.793 1.00 0.00 H new ATOM 0 HG SER A 72 -6.355 12.269 -1.314 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.103 7.770 -1.777 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.189 6.882 -2.175 1.00 0.00 C ATOM 1054 C TYR A 73 -8.063 6.521 -0.978 1.00 0.00 C ATOM 1055 O TYR A 73 -7.627 6.598 0.172 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.628 5.611 -2.813 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.683 4.745 -3.465 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.174 5.047 -4.729 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.187 3.624 -2.817 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.138 4.259 -5.328 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.150 2.829 -3.409 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.622 3.151 -4.664 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.582 2.363 -5.257 1.00 0.00 O ATOM 0 H TYR A 73 -5.697 7.557 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.804 7.406 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.884 5.887 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.112 5.028 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.796 5.913 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.820 3.370 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.510 4.509 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.531 1.961 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.814 1.623 -4.658 1.00 0.00 H new ATOM 1073 N THR A 74 -9.301 6.124 -1.255 1.00 0.00 N ATOM 1074 CA THR A 74 -10.238 5.750 -0.204 1.00 0.00 C ATOM 1075 C THR A 74 -10.865 4.389 -0.483 1.00 0.00 C ATOM 1076 O THR A 74 -11.612 4.226 -1.448 1.00 0.00 O ATOM 1077 CB THR A 74 -11.358 6.797 -0.051 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.793 8.108 0.054 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.208 6.505 1.176 1.00 0.00 C ATOM 0 H THR A 74 -9.678 6.053 -2.200 1.00 0.00 H new ATOM 0 HA THR A 74 -9.668 5.700 0.724 1.00 0.00 H new ATOM 0 HB THR A 74 -11.995 6.747 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.512 8.767 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.992 7.257 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.661 5.518 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.581 6.530 2.067 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.555 3.415 0.366 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.090 2.068 0.210 1.00 0.00 C ATOM 1089 C ILE A 75 -12.351 1.877 1.047 1.00 0.00 C ATOM 1090 O ILE A 75 -12.332 2.052 2.264 1.00 0.00 O ATOM 1091 CB ILE A 75 -10.055 1.001 0.611 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.795 1.134 -0.247 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.650 -0.392 0.475 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.573 0.490 0.370 1.00 0.00 C ATOM 0 H ILE A 75 -9.937 3.533 1.168 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.335 1.946 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.780 1.157 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.980 0.683 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.591 2.191 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.906 -1.135 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.521 -0.481 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.950 -0.560 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.718 0.623 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.362 0.957 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.757 -0.574 0.516 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.445 1.514 0.385 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.715 1.297 1.068 1.00 0.00 C ATOM 1108 C ASN A 76 -15.117 -0.173 1.014 1.00 0.00 C ATOM 1109 O ASN A 76 -14.671 -0.918 0.143 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.810 2.161 0.439 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.270 3.463 -0.120 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -14.996 3.572 -1.316 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.113 4.458 0.745 1.00 0.00 N ATOM 0 H ASN A 76 -13.477 1.364 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.591 1.583 2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.297 1.601 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.572 2.378 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.752 5.358 0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.353 4.323 1.727 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.966 -0.584 1.952 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.415 -1.963 1.993 1.00 0.00 C ATOM 1122 C GLY A 77 -15.501 -2.847 2.819 1.00 0.00 C ATOM 1123 O GLY A 77 -14.988 -3.853 2.328 1.00 0.00 O ATOM 0 H GLY A 77 -16.350 0.014 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.423 -2.001 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.472 -2.354 0.977 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.294 -2.470 4.075 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.433 -3.234 4.972 1.00 0.00 C ATOM 1129 C LEU A 78 -15.142 -3.526 6.290 1.00 0.00 C ATOM 1130 O LEU A 78 -16.195 -2.958 6.580 1.00 0.00 O ATOM 1131 CB LEU A 78 -13.134 -2.472 5.236 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.428 -1.902 4.005 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.205 -1.097 4.416 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -12.036 -3.020 3.050 1.00 0.00 C ATOM 0 H LEU A 78 -15.710 -1.640 4.496 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.198 -4.183 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.351 -1.650 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.443 -3.140 5.750 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.120 -1.236 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.716 -0.699 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.511 -0.273 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.510 -1.741 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.535 -2.596 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.362 -3.711 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.930 -3.555 2.729 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.556 -4.413 7.087 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.129 -4.778 8.378 1.00 0.00 C ATOM 1148 C LYS A 79 -14.754 -3.758 9.448 1.00 0.00 C ATOM 1149 O LYS A 79 -13.866 -2.929 9.246 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.650 -6.170 8.796 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.033 -7.265 7.815 1.00 0.00 C ATOM 1152 CD LYS A 79 -14.982 -8.638 8.464 1.00 0.00 C ATOM 1153 CE LYS A 79 -13.549 -9.114 8.648 1.00 0.00 C ATOM 1154 NZ LYS A 79 -13.484 -10.566 8.970 1.00 0.00 N ATOM 0 H LYS A 79 -13.684 -4.893 6.862 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.214 -4.789 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.566 -6.154 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.065 -6.409 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.037 -7.079 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.358 -7.241 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.482 -8.603 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.528 -9.353 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.982 -8.918 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.077 -8.543 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.491 -10.851 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.004 -10.750 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.912 -11.113 8.196 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.435 -3.824 10.586 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.173 -2.908 11.690 1.00 0.00 C ATOM 1170 C LYS A 80 -14.183 -3.516 12.678 1.00 0.00 C ATOM 1171 O LYS A 80 -14.163 -4.730 12.885 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.477 -2.556 12.410 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.523 -1.931 11.503 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.468 -2.978 10.938 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.224 -2.451 9.728 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.160 -1.353 10.094 1.00 0.00 N ATOM 0 H LYS A 80 -16.174 -4.503 10.769 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.736 -1.998 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.890 -3.460 12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.257 -1.867 13.226 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.093 -1.188 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.030 -1.406 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.902 -3.866 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.177 -3.282 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.513 -2.090 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.782 -3.265 9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.656 -1.021 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.854 -1.704 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.625 -0.565 10.512 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.363 -2.666 13.286 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.370 -3.120 14.252 1.00 0.00 C ATOM 1192 C TYR A 81 -11.509 -4.235 13.665 1.00 0.00 C ATOM 1193 O TYR A 81 -11.245 -5.243 14.321 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.056 -3.609 15.529 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.215 -3.432 16.774 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.668 -2.197 17.097 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.969 -4.501 17.627 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.899 -2.031 18.232 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.202 -4.345 18.765 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.669 -3.108 19.063 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.905 -2.947 20.196 1.00 0.00 O ATOM 0 H TYR A 81 -13.366 -1.659 13.127 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.724 -2.276 14.495 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.995 -3.071 15.656 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.306 -4.664 15.416 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.847 -1.352 16.449 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.385 -5.471 17.396 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.480 -1.064 18.468 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.021 -5.186 19.418 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.841 -3.802 20.671 1.00 0.00 H new ATOM 1211 N THR A 82 -11.074 -4.046 12.423 1.00 0.00 N ATOM 1212 CA THR A 82 -10.244 -5.034 11.746 1.00 0.00 C ATOM 1213 C THR A 82 -8.997 -4.389 11.151 1.00 0.00 C ATOM 1214 O THR A 82 -9.072 -3.329 10.531 1.00 0.00 O ATOM 1215 CB THR A 82 -11.023 -5.749 10.625 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.149 -6.440 11.176 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.128 -6.733 9.887 1.00 0.00 C ATOM 0 H THR A 82 -11.283 -3.218 11.866 1.00 0.00 H new ATOM 0 HA THR A 82 -9.948 -5.767 12.497 1.00 0.00 H new ATOM 0 HB THR A 82 -11.370 -4.997 9.916 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.734 -5.800 11.632 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.700 -7.226 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.287 -6.199 9.444 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.755 -7.481 10.587 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.852 -5.037 11.344 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.589 -4.526 10.825 1.00 0.00 C ATOM 1227 C GLU A 83 -6.474 -4.779 9.325 1.00 0.00 C ATOM 1228 O GLU A 83 -6.950 -5.795 8.818 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.412 -5.176 11.555 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.185 -4.284 11.647 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.260 -4.679 12.782 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.733 -5.337 13.732 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.062 -4.331 12.718 1.00 0.00 O ATOM 0 H GLU A 83 -7.773 -5.916 11.856 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.564 -3.450 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.727 -5.451 12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.142 -6.099 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.638 -4.327 10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.502 -3.250 11.784 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.840 -3.848 8.621 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.664 -3.968 7.178 1.00 0.00 C ATOM 1242 C TYR A 84 -4.291 -3.457 6.752 1.00 0.00 C ATOM 1243 O TYR A 84 -3.863 -2.379 7.163 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.760 -3.193 6.444 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.109 -3.876 6.474 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.411 -4.900 5.584 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.080 -3.498 7.392 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.642 -5.525 5.608 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.314 -4.120 7.424 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.590 -5.132 6.529 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.817 -5.754 6.557 1.00 0.00 O ATOM 0 H TYR A 84 -5.439 -3.002 9.026 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.736 -5.023 6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.854 -2.203 6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.458 -3.048 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.671 -5.212 4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.867 -2.704 8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.861 -6.318 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.057 -3.815 8.146 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.954 -6.168 7.435 1.00 0.00 H new ATOM 1261 N SER A 85 -3.607 -4.240 5.924 1.00 0.00 N ATOM 1262 CA SER A 85 -2.281 -3.870 5.443 1.00 0.00 C ATOM 1263 C SER A 85 -2.378 -3.029 4.174 1.00 0.00 C ATOM 1264 O SER A 85 -3.332 -3.152 3.405 1.00 0.00 O ATOM 1265 CB SER A 85 -1.445 -5.123 5.175 1.00 0.00 C ATOM 1266 OG SER A 85 -0.069 -4.802 5.061 1.00 0.00 O ATOM 0 H SER A 85 -3.949 -5.134 5.572 1.00 0.00 H new ATOM 0 HA SER A 85 -1.794 -3.275 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.589 -5.840 5.983 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.787 -5.603 4.258 1.00 0.00 H new ATOM 0 HG SER A 85 0.424 -5.584 4.736 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.385 -2.172 3.962 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.358 -1.309 2.787 1.00 0.00 C ATOM 1274 C PHE A 86 0.077 -1.053 2.333 1.00 0.00 C ATOM 1275 O PHE A 86 0.975 -0.867 3.154 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.053 0.020 3.089 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.508 -0.128 3.430 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.429 -0.479 2.456 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.955 0.082 4.724 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.769 -0.616 2.767 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.294 -0.054 5.041 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.202 -0.404 4.061 1.00 0.00 C ATOM 0 H PHE A 86 -0.588 -2.057 4.588 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.891 -1.816 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.541 0.508 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.956 0.676 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.096 -0.647 1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.249 0.355 5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.477 -0.889 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.629 0.113 6.054 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.248 -0.512 4.306 1.00 0.00 H new ATOM 1292 N ARG A 87 0.283 -1.047 1.020 1.00 0.00 N ATOM 1293 CA ARG A 87 1.607 -0.817 0.456 1.00 0.00 C ATOM 1294 C ARG A 87 1.506 -0.167 -0.921 1.00 0.00 C ATOM 1295 O ARG A 87 0.658 -0.537 -1.733 1.00 0.00 O ATOM 1296 CB ARG A 87 2.378 -2.134 0.354 1.00 0.00 C ATOM 1297 CG ARG A 87 1.737 -3.144 -0.584 1.00 0.00 C ATOM 1298 CD ARG A 87 2.737 -4.195 -1.038 1.00 0.00 C ATOM 1299 NE ARG A 87 2.777 -5.341 -0.133 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.599 -6.372 -0.289 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.446 -6.401 -1.309 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.576 -7.377 0.577 1.00 0.00 N ATOM 0 H ARG A 87 -0.450 -1.199 0.327 1.00 0.00 H new ATOM 0 HA ARG A 87 2.144 -0.140 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.392 -1.926 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.460 -2.575 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.900 -3.629 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.330 -2.628 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.476 -4.534 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.729 -3.748 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 87 2.138 -5.350 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.467 -5.630 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.076 -7.194 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.927 -7.358 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.208 -8.169 0.456 1.00 0.00 H new ATOM 1316 N VAL A 88 2.377 0.804 -1.177 1.00 0.00 N ATOM 1317 CA VAL A 88 2.386 1.506 -2.455 1.00 0.00 C ATOM 1318 C VAL A 88 3.598 1.109 -3.290 1.00 0.00 C ATOM 1319 O VAL A 88 4.703 0.957 -2.768 1.00 0.00 O ATOM 1320 CB VAL A 88 2.390 3.033 -2.258 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.472 3.745 -3.599 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.154 3.473 -1.487 1.00 0.00 C ATOM 0 H VAL A 88 3.086 1.122 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 88 1.475 1.218 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 88 3.271 3.304 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.474 4.823 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.389 3.453 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.612 3.470 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.173 4.555 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.259 3.190 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.143 2.990 -0.510 1.00 0.00 H new ATOM 1332 N VAL A 89 3.385 0.945 -4.592 1.00 0.00 N ATOM 1333 CA VAL A 89 4.461 0.568 -5.501 1.00 0.00 C ATOM 1334 C VAL A 89 4.419 1.401 -6.777 1.00 0.00 C ATOM 1335 O VAL A 89 3.346 1.737 -7.277 1.00 0.00 O ATOM 1336 CB VAL A 89 4.384 -0.925 -5.873 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.498 -1.292 -6.842 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.447 -1.789 -4.623 1.00 0.00 C ATOM 0 H VAL A 89 2.477 1.067 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 89 5.398 0.757 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 89 3.430 -1.110 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.428 -2.350 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.402 -0.696 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.464 -1.093 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.391 -2.841 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.384 -1.603 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.610 -1.544 -3.969 1.00 0.00 H new ATOM 1348 N ALA A 90 5.596 1.731 -7.300 1.00 0.00 N ATOM 1349 CA ALA A 90 5.694 2.523 -8.520 1.00 0.00 C ATOM 1350 C ALA A 90 5.882 1.630 -9.741 1.00 0.00 C ATOM 1351 O ALA A 90 6.828 0.845 -9.808 1.00 0.00 O ATOM 1352 CB ALA A 90 6.839 3.520 -8.411 1.00 0.00 C ATOM 0 H ALA A 90 6.494 1.462 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 90 4.760 3.071 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.901 4.105 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.662 4.187 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.775 2.983 -8.259 1.00 0.00 H new ATOM 1358 N TYR A 91 4.976 1.754 -10.704 1.00 0.00 N ATOM 1359 CA TYR A 91 5.040 0.955 -11.922 1.00 0.00 C ATOM 1360 C TYR A 91 5.437 1.815 -13.118 1.00 0.00 C ATOM 1361 O TYR A 91 4.682 2.686 -13.547 1.00 0.00 O ATOM 1362 CB TYR A 91 3.692 0.283 -12.188 1.00 0.00 C ATOM 1363 CG TYR A 91 3.526 -1.042 -11.479 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.098 -1.097 -10.159 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.796 -2.240 -12.131 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.945 -2.306 -9.507 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.645 -3.453 -11.487 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.220 -3.480 -10.175 1.00 0.00 C ATOM 1369 OH TYR A 91 3.067 -4.686 -9.530 1.00 0.00 O ATOM 0 H TYR A 91 4.188 2.401 -10.665 1.00 0.00 H new ATOM 0 HA TYR A 91 5.800 0.186 -11.782 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.893 0.955 -11.876 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.578 0.128 -13.261 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.881 -0.179 -9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.129 -2.222 -13.158 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.612 -2.331 -8.480 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.858 -4.375 -12.008 1.00 0.00 H new ATOM 0 HH TYR A 91 2.543 -4.556 -8.712 1.00 0.00 H new ATOM 1379 N ASN A 92 6.628 1.563 -13.651 1.00 0.00 N ATOM 1380 CA ASN A 92 7.127 2.314 -14.797 1.00 0.00 C ATOM 1381 C ASN A 92 7.497 1.376 -15.942 1.00 0.00 C ATOM 1382 O ASN A 92 7.689 0.177 -15.740 1.00 0.00 O ATOM 1383 CB ASN A 92 8.343 3.151 -14.395 1.00 0.00 C ATOM 1384 CG ASN A 92 9.521 2.294 -13.975 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.366 1.112 -13.669 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.709 2.889 -13.958 1.00 0.00 N ATOM 0 H ASN A 92 7.265 0.845 -13.308 1.00 0.00 H new ATOM 0 HA ASN A 92 6.333 2.979 -15.137 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.638 3.784 -15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.069 3.814 -13.575 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.539 2.363 -13.683 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.791 3.871 -14.220 1.00 0.00 H new ATOM 1393 N LYS A 93 7.597 1.931 -17.145 1.00 0.00 N ATOM 1394 CA LYS A 93 7.946 1.147 -18.324 1.00 0.00 C ATOM 1395 C LYS A 93 8.957 0.059 -17.973 1.00 0.00 C ATOM 1396 O LYS A 93 8.853 -1.074 -18.444 1.00 0.00 O ATOM 1397 CB LYS A 93 8.517 2.055 -19.415 1.00 0.00 C ATOM 1398 CG LYS A 93 9.833 2.711 -19.035 1.00 0.00 C ATOM 1399 CD LYS A 93 10.048 4.010 -19.794 1.00 0.00 C ATOM 1400 CE LYS A 93 9.470 5.198 -19.041 1.00 0.00 C ATOM 1401 NZ LYS A 93 10.227 5.484 -17.791 1.00 0.00 N ATOM 0 H LYS A 93 7.441 2.922 -17.329 1.00 0.00 H new ATOM 0 HA LYS A 93 7.039 0.670 -18.695 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.661 1.470 -20.323 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.788 2.831 -19.648 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.846 2.908 -17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.655 2.026 -19.243 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.115 4.165 -19.957 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.582 3.940 -20.777 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.485 6.078 -19.684 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.426 5.000 -18.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.867 6.359 -17.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.107 4.695 -17.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.236 5.598 -18.015 1.00 0.00 H new ATOM 1415 N HIS A 94 9.934 0.411 -17.143 1.00 0.00 N ATOM 1416 CA HIS A 94 10.962 -0.537 -16.728 1.00 0.00 C ATOM 1417 C HIS A 94 10.350 -1.697 -15.949 1.00 0.00 C ATOM 1418 O HIS A 94 10.345 -2.836 -16.414 1.00 0.00 O ATOM 1419 CB HIS A 94 12.018 0.165 -15.873 1.00 0.00 C ATOM 1420 CG HIS A 94 12.581 1.398 -16.510 1.00 0.00 C ATOM 1421 ND1 HIS A 94 12.738 1.537 -17.873 1.00 0.00 N ATOM 1422 CD2 HIS A 94 13.024 2.554 -15.963 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.255 2.723 -18.136 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.438 3.361 -16.994 1.00 0.00 N ATOM 0 H HIS A 94 10.035 1.345 -16.745 1.00 0.00 H new ATOM 0 HA HIS A 94 11.437 -0.935 -17.625 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.578 0.431 -14.912 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.831 -0.532 -15.669 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.048 2.797 -14.911 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.489 3.106 -19.118 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.824 4.300 -16.894 1.00 0.00 H new ATOM 1433 N GLY A 95 9.834 -1.399 -14.761 1.00 0.00 N ATOM 1434 CA GLY A 95 9.226 -2.428 -13.936 1.00 0.00 C ATOM 1435 C GLY A 95 8.830 -1.914 -12.566 1.00 0.00 C ATOM 1436 O GLY A 95 9.148 -0.787 -12.187 1.00 0.00 O ATOM 0 H GLY A 95 9.826 -0.464 -14.354 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.344 -2.821 -14.442 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.924 -3.257 -13.822 1.00 0.00 H new ATOM 1440 N PRO A 96 8.117 -2.752 -11.799 1.00 0.00 N ATOM 1441 CA PRO A 96 7.660 -2.397 -10.452 1.00 0.00 C ATOM 1442 C PRO A 96 8.810 -2.307 -9.455 1.00 0.00 C ATOM 1443 O PRO A 96 9.137 -3.282 -8.780 1.00 0.00 O ATOM 1444 CB PRO A 96 6.720 -3.548 -10.082 1.00 0.00 C ATOM 1445 CG PRO A 96 7.190 -4.699 -10.903 1.00 0.00 C ATOM 1446 CD PRO A 96 7.702 -4.110 -12.188 1.00 0.00 C ATOM 0 HA PRO A 96 7.185 -1.416 -10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.771 -3.774 -9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.683 -3.300 -10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.975 -5.251 -10.387 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.378 -5.401 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.536 -4.686 -12.590 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.929 -4.089 -12.957 1.00 0.00 H new ATOM 1454 N GLY A 97 9.420 -1.129 -9.368 1.00 0.00 N ATOM 1455 CA GLY A 97 10.527 -0.933 -8.450 1.00 0.00 C ATOM 1456 C GLY A 97 10.196 -1.378 -7.039 1.00 0.00 C ATOM 1457 O GLY A 97 9.130 -1.942 -6.792 1.00 0.00 O ATOM 0 H GLY A 97 9.168 -0.307 -9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.395 -1.487 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.804 0.121 -8.440 1.00 0.00 H new ATOM 1461 N VAL A 98 11.112 -1.125 -6.110 1.00 0.00 N ATOM 1462 CA VAL A 98 10.913 -1.503 -4.716 1.00 0.00 C ATOM 1463 C VAL A 98 9.494 -1.185 -4.258 1.00 0.00 C ATOM 1464 O VAL A 98 8.761 -0.461 -4.932 1.00 0.00 O ATOM 1465 CB VAL A 98 11.912 -0.785 -3.791 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.336 -1.225 -4.097 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.771 0.724 -3.924 1.00 0.00 C ATOM 0 H VAL A 98 12.000 -0.659 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 98 11.080 -2.578 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 98 11.687 -1.059 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.028 -0.707 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.425 -2.301 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.577 -0.983 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.485 1.216 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.968 1.018 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.759 1.020 -3.650 1.00 0.00 H new ATOM 1477 N SER A 99 9.112 -1.731 -3.108 1.00 0.00 N ATOM 1478 CA SER A 99 7.779 -1.508 -2.560 1.00 0.00 C ATOM 1479 C SER A 99 7.860 -1.012 -1.120 1.00 0.00 C ATOM 1480 O SER A 99 8.650 -1.514 -0.320 1.00 0.00 O ATOM 1481 CB SER A 99 6.957 -2.797 -2.623 1.00 0.00 C ATOM 1482 OG SER A 99 5.671 -2.609 -2.058 1.00 0.00 O ATOM 0 H SER A 99 9.707 -2.331 -2.537 1.00 0.00 H new ATOM 0 HA SER A 99 7.288 -0.743 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.859 -3.119 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.479 -3.592 -2.090 1.00 0.00 H new ATOM 0 HG SER A 99 5.701 -2.816 -1.101 1.00 0.00 H new ATOM 1488 N THR A 100 7.034 -0.021 -0.795 1.00 0.00 N ATOM 1489 CA THR A 100 7.011 0.545 0.548 1.00 0.00 C ATOM 1490 C THR A 100 6.671 -0.517 1.587 1.00 0.00 C ATOM 1491 O THR A 100 6.082 -1.554 1.280 1.00 0.00 O ATOM 1492 CB THR A 100 5.993 1.696 0.654 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.905 1.473 -0.250 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.652 3.032 0.344 1.00 0.00 C ATOM 0 H THR A 100 6.373 0.406 -1.444 1.00 0.00 H new ATOM 0 HA THR A 100 8.010 0.934 0.745 1.00 0.00 H new ATOM 0 HB THR A 100 5.615 1.724 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.190 1.684 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.913 3.830 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.460 3.212 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.055 3.013 -0.669 1.00 0.00 H new ATOM 1502 N PRO A 101 7.049 -0.256 2.847 1.00 0.00 N ATOM 1503 CA PRO A 101 6.793 -1.178 3.957 1.00 0.00 C ATOM 1504 C PRO A 101 5.312 -1.259 4.314 1.00 0.00 C ATOM 1505 O PRO A 101 4.648 -0.236 4.480 1.00 0.00 O ATOM 1506 CB PRO A 101 7.590 -0.570 5.114 1.00 0.00 C ATOM 1507 CG PRO A 101 7.690 0.879 4.785 1.00 0.00 C ATOM 1508 CD PRO A 101 7.755 0.959 3.285 1.00 0.00 C ATOM 0 HA PRO A 101 7.082 -2.200 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.085 -0.726 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.577 -1.026 5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.829 1.427 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.577 1.322 5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.272 1.861 2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.785 0.976 2.928 1.00 0.00 H new ATOM 1516 N ASP A 102 4.802 -2.479 4.431 1.00 0.00 N ATOM 1517 CA ASP A 102 3.400 -2.693 4.770 1.00 0.00 C ATOM 1518 C ASP A 102 2.944 -1.708 5.843 1.00 0.00 C ATOM 1519 O ASP A 102 3.676 -1.425 6.791 1.00 0.00 O ATOM 1520 CB ASP A 102 3.183 -4.128 5.253 1.00 0.00 C ATOM 1521 CG ASP A 102 3.731 -4.360 6.647 1.00 0.00 C ATOM 1522 OD1 ASP A 102 4.969 -4.422 6.794 1.00 0.00 O ATOM 1523 OD2 ASP A 102 2.922 -4.480 7.591 1.00 0.00 O ATOM 0 H ASP A 102 5.339 -3.336 4.296 1.00 0.00 H new ATOM 0 HA ASP A 102 2.805 -2.526 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.117 -4.354 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.662 -4.818 4.558 1.00 0.00 H new ATOM 1528 N VAL A 103 1.731 -1.189 5.685 1.00 0.00 N ATOM 1529 CA VAL A 103 1.177 -0.236 6.639 1.00 0.00 C ATOM 1530 C VAL A 103 -0.132 -0.748 7.231 1.00 0.00 C ATOM 1531 O VAL A 103 -1.215 -0.343 6.811 1.00 0.00 O ATOM 1532 CB VAL A 103 0.929 1.135 5.984 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.291 2.095 6.976 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.229 1.707 5.438 1.00 0.00 C ATOM 0 H VAL A 103 1.113 -1.413 4.905 1.00 0.00 H new ATOM 0 HA VAL A 103 1.913 -0.122 7.435 1.00 0.00 H new ATOM 0 HB VAL A 103 0.239 1.000 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.124 3.058 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.662 1.688 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.953 2.228 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.035 2.676 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.944 1.828 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.640 1.027 4.692 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.023 -1.642 8.209 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.198 -2.207 8.860 1.00 0.00 C ATOM 1546 C ALA A 104 -1.913 -1.161 9.708 1.00 0.00 C ATOM 1547 O ALA A 104 -1.278 -0.389 10.426 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.803 -3.402 9.716 1.00 0.00 C ATOM 0 H ALA A 104 0.866 -1.990 8.567 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.887 -2.540 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.690 -3.814 10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.344 -4.164 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.092 -3.084 10.479 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.239 -1.139 9.618 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.041 -0.187 10.377 1.00 0.00 C ATOM 1556 C VAL A 105 -5.385 -0.790 10.770 1.00 0.00 C ATOM 1557 O VAL A 105 -5.961 -1.584 10.026 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.286 1.105 9.576 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.206 0.836 8.395 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.862 2.189 10.475 1.00 0.00 C ATOM 0 H VAL A 105 -3.780 -1.770 9.027 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.477 0.054 11.278 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.330 1.457 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.367 1.761 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.749 0.095 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.162 0.459 8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.029 3.095 9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.808 1.849 10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.162 2.401 11.283 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.880 -0.408 11.942 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.156 -0.912 12.434 1.00 0.00 C ATOM 1572 C ARG A 106 -8.265 0.114 12.218 1.00 0.00 C ATOM 1573 O ARG A 106 -8.115 1.288 12.556 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.052 -1.260 13.920 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.170 -2.166 14.413 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.120 -2.341 15.923 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.091 -3.294 16.329 1.00 0.00 N ATOM 1578 CZ ARG A 106 -7.259 -4.612 16.302 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -8.408 -5.129 15.890 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -6.276 -5.415 16.688 1.00 0.00 N ATOM 0 H ARG A 106 -5.416 0.249 12.569 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.403 -1.813 11.873 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.094 -1.746 14.105 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.059 -0.338 14.502 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.134 -1.746 14.126 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.090 -3.140 13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.927 -1.377 16.394 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.091 -2.682 16.281 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.195 -2.928 16.651 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.166 -4.515 15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.534 -6.141 15.870 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.391 -5.021 17.006 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.406 -6.426 16.667 1.00 0.00 H new ATOM 1594 N THR A 107 -9.380 -0.339 11.651 1.00 0.00 N ATOM 1595 CA THR A 107 -10.513 0.539 11.388 1.00 0.00 C ATOM 1596 C THR A 107 -11.224 0.923 12.681 1.00 0.00 C ATOM 1597 O THR A 107 -10.922 0.389 13.749 1.00 0.00 O ATOM 1598 CB THR A 107 -11.527 -0.124 10.436 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.652 -1.516 10.745 1.00 0.00 O ATOM 1600 CG2 THR A 107 -11.096 0.042 8.986 1.00 0.00 C ATOM 0 H THR A 107 -9.522 -1.308 11.366 1.00 0.00 H new ATOM 0 HA THR A 107 -10.114 1.437 10.916 1.00 0.00 H new ATOM 0 HB THR A 107 -12.492 0.365 10.571 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.397 -1.898 10.236 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.827 -0.434 8.332 1.00 0.00 H new ATOM 0 HG22 THR A 107 -11.030 1.103 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.121 -0.424 8.840 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.169 1.851 12.578 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.924 2.306 13.740 1.00 0.00 C ATOM 1610 C LEU A 108 -13.950 1.261 14.166 1.00 0.00 C ATOM 1611 O LEU A 108 -14.543 0.581 13.329 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.625 3.630 13.431 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.738 4.746 12.878 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.580 5.946 12.473 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.689 5.150 13.903 1.00 0.00 C ATOM 0 H LEU A 108 -12.431 2.303 11.702 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.224 2.456 14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.422 3.437 12.713 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.099 3.989 14.345 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.226 4.372 11.991 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.932 6.730 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.293 5.648 11.704 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.120 6.322 13.342 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.067 5.945 13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.182 5.505 14.808 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.065 4.289 14.144 1.00 0.00 H new ATOM 1627 N SER A 109 -14.156 1.140 15.474 1.00 0.00 N ATOM 1628 CA SER A 109 -15.110 0.177 16.011 1.00 0.00 C ATOM 1629 C SER A 109 -16.510 0.780 16.081 1.00 0.00 C ATOM 1630 O SER A 109 -16.713 1.838 16.677 1.00 0.00 O ATOM 1631 CB SER A 109 -14.672 -0.284 17.403 1.00 0.00 C ATOM 1632 OG SER A 109 -14.794 0.763 18.349 1.00 0.00 O ATOM 0 H SER A 109 -13.675 1.697 16.181 1.00 0.00 H new ATOM 0 HA SER A 109 -15.136 -0.683 15.342 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.279 -1.133 17.716 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.638 -0.627 17.367 1.00 0.00 H new ATOM 0 HG SER A 109 -15.409 1.445 18.005 1.00 0.00 H new ATOM 1638 N ASP A 110 -17.471 0.100 15.467 1.00 0.00 N ATOM 1639 CA ASP A 110 -18.853 0.566 15.459 1.00 0.00 C ATOM 1640 C ASP A 110 -19.587 0.110 16.716 1.00 0.00 C ATOM 1641 O ASP A 110 -20.720 -0.367 16.646 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.579 0.053 14.214 1.00 0.00 C ATOM 1643 CG ASP A 110 -20.818 0.866 13.891 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -21.732 0.916 14.739 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -20.872 1.452 12.789 1.00 0.00 O ATOM 0 H ASP A 110 -17.319 -0.776 14.968 1.00 0.00 H new ATOM 0 HA ASP A 110 -18.844 1.656 15.441 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -18.898 0.080 13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -19.861 -0.989 14.365 1.00 0.00 H new ATOM 1650 N SER A 111 -18.934 0.261 17.864 1.00 0.00 N ATOM 1651 CA SER A 111 -19.523 -0.140 19.136 1.00 0.00 C ATOM 1652 C SER A 111 -19.932 1.081 19.954 1.00 0.00 C ATOM 1653 O SER A 111 -21.023 1.125 20.522 1.00 0.00 O ATOM 1654 CB SER A 111 -18.536 -0.994 19.933 1.00 0.00 C ATOM 1655 OG SER A 111 -18.187 -2.169 19.222 1.00 0.00 O ATOM 0 H SER A 111 -17.997 0.658 17.939 1.00 0.00 H new ATOM 0 HA SER A 111 -20.415 -0.730 18.925 1.00 0.00 H new ATOM 0 HB2 SER A 111 -17.638 -0.414 20.146 1.00 0.00 H new ATOM 0 HB3 SER A 111 -18.976 -1.264 20.893 1.00 0.00 H new ATOM 0 HG SER A 111 -17.554 -2.696 19.752 1.00 0.00 H new ATOM 1661 N GLY A 112 -19.048 2.073 20.008 1.00 0.00 N ATOM 1662 CA GLY A 112 -19.334 3.282 20.759 1.00 0.00 C ATOM 1663 C GLY A 112 -20.647 3.919 20.352 1.00 0.00 C ATOM 1664 O GLY A 112 -20.936 4.095 19.168 1.00 0.00 O ATOM 0 H GLY A 112 -18.139 2.061 19.545 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -19.362 3.047 21.823 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -18.525 3.998 20.612 1.00 0.00 H new ATOM 1668 N PRO A 113 -21.470 4.277 21.349 1.00 0.00 N ATOM 1669 CA PRO A 113 -22.774 4.903 21.113 1.00 0.00 C ATOM 1670 C PRO A 113 -22.646 6.325 20.577 1.00 0.00 C ATOM 1671 O PRO A 113 -21.575 6.928 20.641 1.00 0.00 O ATOM 1672 CB PRO A 113 -23.421 4.910 22.500 1.00 0.00 C ATOM 1673 CG PRO A 113 -22.275 4.896 23.452 1.00 0.00 C ATOM 1674 CD PRO A 113 -21.191 4.097 22.783 1.00 0.00 C ATOM 0 HA PRO A 113 -23.353 4.367 20.361 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -24.043 5.794 22.642 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -24.064 4.041 22.641 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -21.936 5.909 23.669 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -22.562 4.445 24.402 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -20.199 4.464 23.049 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -21.230 3.047 23.071 1.00 0.00 H new ATOM 1682 N SER A 114 -23.745 6.855 20.051 1.00 0.00 N ATOM 1683 CA SER A 114 -23.755 8.206 19.501 1.00 0.00 C ATOM 1684 C SER A 114 -23.382 9.230 20.569 1.00 0.00 C ATOM 1685 O SER A 114 -22.687 10.207 20.293 1.00 0.00 O ATOM 1686 CB SER A 114 -25.132 8.534 18.922 1.00 0.00 C ATOM 1687 OG SER A 114 -25.244 9.915 18.625 1.00 0.00 O ATOM 0 H SER A 114 -24.640 6.370 19.994 1.00 0.00 H new ATOM 0 HA SER A 114 -23.014 8.252 18.703 1.00 0.00 H new ATOM 0 HB2 SER A 114 -25.298 7.949 18.017 1.00 0.00 H new ATOM 0 HB3 SER A 114 -25.907 8.248 19.633 1.00 0.00 H new ATOM 0 HG SER A 114 -26.133 10.099 18.255 1.00 0.00 H new ATOM 1693 N SER A 115 -23.851 8.997 21.791 1.00 0.00 N ATOM 1694 CA SER A 115 -23.571 9.900 22.902 1.00 0.00 C ATOM 1695 C SER A 115 -22.134 9.735 23.388 1.00 0.00 C ATOM 1696 O SER A 115 -21.335 10.668 23.327 1.00 0.00 O ATOM 1697 CB SER A 115 -24.544 9.642 24.054 1.00 0.00 C ATOM 1698 OG SER A 115 -24.347 10.571 25.106 1.00 0.00 O ATOM 0 H SER A 115 -24.426 8.191 22.037 1.00 0.00 H new ATOM 0 HA SER A 115 -23.701 10.923 22.548 1.00 0.00 H new ATOM 0 HB2 SER A 115 -25.569 9.711 23.691 1.00 0.00 H new ATOM 0 HB3 SER A 115 -24.407 8.628 24.430 1.00 0.00 H new ATOM 0 HG SER A 115 -24.982 10.386 25.829 1.00 0.00 H new ATOM 1704 N GLY A 116 -21.814 8.539 23.871 1.00 0.00 N ATOM 1705 CA GLY A 116 -20.474 8.272 24.361 1.00 0.00 C ATOM 1706 C GLY A 116 -19.481 8.045 23.239 1.00 0.00 C ATOM 1707 O GLY A 116 -18.298 7.810 23.486 1.00 0.00 O ATOM 0 H GLY A 116 -22.458 7.750 23.932 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.141 9.110 24.973 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.495 7.394 25.007 1.00 0.00 H new TER 1711 GLY A 116