USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1027 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 123 ASN : amide:sc= -0.0751 K(o=-0.16,f=-1.1) USER MOD Set 1.2: A 124 ASN : amide:sc= -0.087 K(o=-0.16,f=-1.3) USER MOD Set 2.1: A 48 ASN : amide:sc= 0.921 K(o=1.1,f=-0.76) USER MOD Set 2.2: A 50 SER OG : rot -94:sc= 1.29 USER MOD Set 2.3: A 111 HIS : no HD1:sc= -1.16 K(o=1.1,f=-9.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 1:sc= 0.671 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0617 F(o=-0.58,f=-0.062) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 59 CYS SG : rot 150:sc= -2.28 USER MOD Single : A 60 GLN : amide:sc= -0.841 K(o=-0.84,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 150:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -4.16! C(o=-4.2!,f=-7.7!) USER MOD Single : A 72 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.63) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0528 K(o=-0.053,f=-2.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.6!) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.22! C(o=-3.2!,f=-2.2!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 37:sc= 0.696 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 114 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.4!) USER MOD Single : A 115 SER OG : rot 37:sc= 0.531 USER MOD Single : A 117 GLN : amide:sc= -1.31 K(o=-1.3,f=-8.1!) USER MOD Single : A 129 SER OG : rot -94:sc= 1.19 USER MOD Single : A 131 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.413 -37.738 8.155 1.00 0.00 N ATOM 2 CA GLY A 1 -15.918 -36.397 7.925 1.00 0.00 C ATOM 3 C GLY A 1 -14.841 -35.445 7.445 1.00 0.00 C ATOM 4 O GLY A 1 -14.028 -35.798 6.590 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.188 -38.350 8.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.022 -38.118 7.270 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.667 -37.709 8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.719 -36.436 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.353 -36.013 8.848 1.00 0.00 H new ATOM 8 N SER A 2 -14.835 -34.235 7.994 1.00 0.00 N ATOM 9 CA SER A 2 -13.852 -33.227 7.612 1.00 0.00 C ATOM 10 C SER A 2 -12.444 -33.666 8.003 1.00 0.00 C ATOM 11 O SER A 2 -12.261 -34.691 8.659 1.00 0.00 O ATOM 12 CB SER A 2 -14.183 -31.887 8.272 1.00 0.00 C ATOM 13 OG SER A 2 -13.855 -31.902 9.650 1.00 0.00 O ATOM 0 H SER A 2 -15.499 -33.928 8.705 1.00 0.00 H new ATOM 0 HA SER A 2 -13.889 -33.110 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.635 -31.087 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.244 -31.670 8.150 1.00 0.00 H new ATOM 0 HG SER A 2 -14.075 -31.034 10.048 1.00 0.00 H new ATOM 19 N SER A 3 -11.452 -32.882 7.593 1.00 0.00 N ATOM 20 CA SER A 3 -10.060 -33.190 7.896 1.00 0.00 C ATOM 21 C SER A 3 -9.587 -32.418 9.124 1.00 0.00 C ATOM 22 O SER A 3 -8.920 -32.968 9.999 1.00 0.00 O ATOM 23 CB SER A 3 -9.169 -32.859 6.697 1.00 0.00 C ATOM 24 OG SER A 3 -9.093 -33.954 5.801 1.00 0.00 O ATOM 0 H SER A 3 -11.587 -32.029 7.050 1.00 0.00 H new ATOM 0 HA SER A 3 -9.988 -34.257 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.563 -31.986 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.169 -32.599 7.044 1.00 0.00 H new ATOM 0 HG SER A 3 -8.519 -33.717 5.043 1.00 0.00 H new ATOM 30 N GLY A 4 -9.938 -31.136 9.181 1.00 0.00 N ATOM 31 CA GLY A 4 -9.542 -30.308 10.304 1.00 0.00 C ATOM 32 C GLY A 4 -10.419 -30.522 11.521 1.00 0.00 C ATOM 33 O GLY A 4 -11.212 -29.654 11.884 1.00 0.00 O ATOM 0 H GLY A 4 -10.489 -30.657 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.506 -30.526 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.583 -29.259 10.010 1.00 0.00 H new ATOM 37 N SER A 5 -10.279 -31.684 12.153 1.00 0.00 N ATOM 38 CA SER A 5 -11.070 -32.013 13.333 1.00 0.00 C ATOM 39 C SER A 5 -10.702 -31.106 14.503 1.00 0.00 C ATOM 40 O SER A 5 -9.869 -31.459 15.338 1.00 0.00 O ATOM 41 CB SER A 5 -10.860 -33.477 13.722 1.00 0.00 C ATOM 42 OG SER A 5 -11.523 -33.782 14.937 1.00 0.00 O ATOM 0 H SER A 5 -9.625 -32.413 11.867 1.00 0.00 H new ATOM 0 HA SER A 5 -12.121 -31.857 13.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.233 -34.124 12.928 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.794 -33.680 13.825 1.00 0.00 H new ATOM 0 HG SER A 5 -11.375 -34.724 15.163 1.00 0.00 H new ATOM 48 N SER A 6 -11.328 -29.935 14.557 1.00 0.00 N ATOM 49 CA SER A 6 -11.065 -28.975 15.622 1.00 0.00 C ATOM 50 C SER A 6 -9.566 -28.744 15.786 1.00 0.00 C ATOM 51 O SER A 6 -9.053 -28.687 16.903 1.00 0.00 O ATOM 52 CB SER A 6 -11.664 -29.467 16.941 1.00 0.00 C ATOM 53 OG SER A 6 -10.986 -30.620 17.410 1.00 0.00 O ATOM 0 H SER A 6 -12.022 -29.628 13.875 1.00 0.00 H new ATOM 0 HA SER A 6 -11.534 -28.029 15.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.604 -28.676 17.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.721 -29.694 16.802 1.00 0.00 H new ATOM 0 HG SER A 6 -10.259 -30.846 16.793 1.00 0.00 H new ATOM 59 N GLY A 7 -8.867 -28.611 14.663 1.00 0.00 N ATOM 60 CA GLY A 7 -7.434 -28.387 14.702 1.00 0.00 C ATOM 61 C GLY A 7 -7.080 -26.952 15.038 1.00 0.00 C ATOM 62 O GLY A 7 -7.920 -26.054 14.984 1.00 0.00 O ATOM 0 H GLY A 7 -9.268 -28.654 13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.986 -29.051 15.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.002 -28.648 13.736 1.00 0.00 H new ATOM 66 N PRO A 8 -5.808 -26.720 15.395 1.00 0.00 N ATOM 67 CA PRO A 8 -5.316 -25.386 15.749 1.00 0.00 C ATOM 68 C PRO A 8 -5.250 -24.454 14.544 1.00 0.00 C ATOM 69 O PRO A 8 -5.089 -24.886 13.403 1.00 0.00 O ATOM 70 CB PRO A 8 -3.910 -25.658 16.292 1.00 0.00 C ATOM 71 CG PRO A 8 -3.495 -26.934 15.645 1.00 0.00 C ATOM 72 CD PRO A 8 -4.752 -27.743 15.481 1.00 0.00 C ATOM 0 HA PRO A 8 -5.973 -24.885 16.460 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.226 -24.847 16.043 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.916 -25.748 17.378 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.023 -26.747 14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.767 -27.464 16.259 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.718 -28.361 14.584 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.911 -28.414 16.325 1.00 0.00 H new ATOM 80 N PRO A 9 -5.377 -23.143 14.801 1.00 0.00 N ATOM 81 CA PRO A 9 -5.334 -22.123 13.749 1.00 0.00 C ATOM 82 C PRO A 9 -3.941 -21.970 13.147 1.00 0.00 C ATOM 83 O PRO A 9 -2.926 -22.089 13.832 1.00 0.00 O ATOM 84 CB PRO A 9 -5.744 -20.842 14.481 1.00 0.00 C ATOM 85 CG PRO A 9 -5.375 -21.085 15.904 1.00 0.00 C ATOM 86 CD PRO A 9 -5.572 -22.557 16.138 1.00 0.00 C ATOM 0 HA PRO A 9 -5.981 -22.376 12.909 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.223 -19.973 14.080 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.812 -20.650 14.376 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.342 -20.795 16.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.000 -20.496 16.575 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.853 -22.949 16.858 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.566 -22.772 16.530 1.00 0.00 H new ATOM 94 N PRO A 10 -3.890 -21.699 11.834 1.00 0.00 N ATOM 95 CA PRO A 10 -2.628 -21.523 11.111 1.00 0.00 C ATOM 96 C PRO A 10 -1.909 -20.237 11.503 1.00 0.00 C ATOM 97 O PRO A 10 -2.295 -19.567 12.461 1.00 0.00 O ATOM 98 CB PRO A 10 -3.064 -21.466 9.644 1.00 0.00 C ATOM 99 CG PRO A 10 -4.474 -20.988 9.687 1.00 0.00 C ATOM 100 CD PRO A 10 -5.061 -21.544 10.955 1.00 0.00 C ATOM 0 HA PRO A 10 -1.919 -22.322 11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.433 -20.788 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.992 -22.445 9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.517 -19.899 9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.030 -21.333 8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.800 -20.868 11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.562 -22.496 10.782 1.00 0.00 H new ATOM 108 N ALA A 11 -0.863 -19.897 10.757 1.00 0.00 N ATOM 109 CA ALA A 11 -0.092 -18.690 11.027 1.00 0.00 C ATOM 110 C ALA A 11 -0.069 -17.771 9.810 1.00 0.00 C ATOM 111 O ALA A 11 0.721 -17.949 8.882 1.00 0.00 O ATOM 112 CB ALA A 11 1.325 -19.050 11.445 1.00 0.00 C ATOM 0 H ALA A 11 -0.530 -20.441 9.961 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.575 -18.156 11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.889 -18.138 11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.294 -19.661 12.347 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.809 -19.609 10.645 1.00 0.00 H new ATOM 118 N PRO A 12 -0.955 -16.764 9.811 1.00 0.00 N ATOM 119 CA PRO A 12 -1.055 -15.797 8.713 1.00 0.00 C ATOM 120 C PRO A 12 0.151 -14.866 8.648 1.00 0.00 C ATOM 121 O PRO A 12 1.119 -15.037 9.390 1.00 0.00 O ATOM 122 CB PRO A 12 -2.323 -15.008 9.051 1.00 0.00 C ATOM 123 CG PRO A 12 -2.464 -15.132 10.529 1.00 0.00 C ATOM 124 CD PRO A 12 -1.926 -16.491 10.883 1.00 0.00 C ATOM 0 HA PRO A 12 -1.087 -16.287 7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.233 -13.965 8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.192 -15.416 8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.908 -14.347 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.507 -15.034 10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.452 -16.492 11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.716 -17.241 10.910 1.00 0.00 H new ATOM 132 N ILE A 13 0.085 -13.882 7.758 1.00 0.00 N ATOM 133 CA ILE A 13 1.172 -12.923 7.599 1.00 0.00 C ATOM 134 C ILE A 13 0.906 -11.653 8.400 1.00 0.00 C ATOM 135 O ILE A 13 -0.072 -10.940 8.174 1.00 0.00 O ATOM 136 CB ILE A 13 1.380 -12.550 6.119 1.00 0.00 C ATOM 137 CG1 ILE A 13 1.552 -13.812 5.271 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.587 -11.636 5.969 1.00 0.00 C ATOM 139 CD1 ILE A 13 1.180 -13.618 3.818 1.00 0.00 C ATOM 0 H ILE A 13 -0.709 -13.728 7.136 1.00 0.00 H new ATOM 0 HA ILE A 13 2.075 -13.403 7.975 1.00 0.00 H new ATOM 0 HB ILE A 13 0.498 -12.016 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.589 -14.142 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.939 -14.609 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.722 -11.381 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.428 -10.725 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.478 -12.146 6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.326 -14.553 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.135 -13.318 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.810 -12.843 3.381 1.00 0.00 H new ATOM 151 N PRO A 14 1.798 -11.360 9.358 1.00 0.00 N ATOM 152 CA PRO A 14 1.683 -10.173 10.210 1.00 0.00 C ATOM 153 C PRO A 14 1.937 -8.881 9.442 1.00 0.00 C ATOM 154 O PRO A 14 2.379 -8.907 8.293 1.00 0.00 O ATOM 155 CB PRO A 14 2.769 -10.389 11.267 1.00 0.00 C ATOM 156 CG PRO A 14 3.770 -11.274 10.607 1.00 0.00 C ATOM 157 CD PRO A 14 2.988 -12.165 9.682 1.00 0.00 C ATOM 0 HA PRO A 14 0.681 -10.064 10.624 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.217 -9.444 11.573 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.361 -10.854 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.505 -10.688 10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.318 -11.861 11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.559 -12.416 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.718 -13.105 10.163 1.00 0.00 H new ATOM 165 N ASP A 15 1.656 -7.752 10.083 1.00 0.00 N ATOM 166 CA ASP A 15 1.855 -6.449 9.460 1.00 0.00 C ATOM 167 C ASP A 15 3.341 -6.154 9.282 1.00 0.00 C ATOM 168 O ASP A 15 4.188 -6.746 9.953 1.00 0.00 O ATOM 169 CB ASP A 15 1.202 -5.352 10.303 1.00 0.00 C ATOM 170 CG ASP A 15 2.125 -4.826 11.384 1.00 0.00 C ATOM 171 OD1 ASP A 15 3.120 -4.153 11.040 1.00 0.00 O ATOM 172 OD2 ASP A 15 1.852 -5.085 12.574 1.00 0.00 O ATOM 0 H ASP A 15 1.290 -7.713 11.034 1.00 0.00 H new ATOM 0 HA ASP A 15 1.386 -6.468 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.902 -4.529 9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.294 -5.743 10.763 1.00 0.00 H new ATOM 177 N LEU A 16 3.652 -5.236 8.373 1.00 0.00 N ATOM 178 CA LEU A 16 5.036 -4.862 8.105 1.00 0.00 C ATOM 179 C LEU A 16 5.150 -3.371 7.804 1.00 0.00 C ATOM 180 O LEU A 16 4.580 -2.878 6.830 1.00 0.00 O ATOM 181 CB LEU A 16 5.587 -5.675 6.932 1.00 0.00 C ATOM 182 CG LEU A 16 7.101 -5.621 6.730 1.00 0.00 C ATOM 183 CD1 LEU A 16 7.603 -6.914 6.105 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.483 -4.427 5.867 1.00 0.00 C ATOM 0 H LEU A 16 2.964 -4.737 7.809 1.00 0.00 H new ATOM 0 HA LEU A 16 5.624 -5.079 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.296 -6.716 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.106 -5.328 6.018 1.00 0.00 H new ATOM 0 HG LEU A 16 7.573 -5.505 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.683 -6.857 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.364 -7.752 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.123 -7.061 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.565 -4.405 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.000 -4.512 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.159 -3.507 6.354 1.00 0.00 H new ATOM 196 N LYS A 17 5.891 -2.658 8.645 1.00 0.00 N ATOM 197 CA LYS A 17 6.083 -1.223 8.468 1.00 0.00 C ATOM 198 C LYS A 17 6.862 -0.932 7.189 1.00 0.00 C ATOM 199 O LYS A 17 7.891 -1.553 6.922 1.00 0.00 O ATOM 200 CB LYS A 17 6.821 -0.634 9.673 1.00 0.00 C ATOM 201 CG LYS A 17 7.215 0.821 9.492 1.00 0.00 C ATOM 202 CD LYS A 17 8.482 1.155 10.262 1.00 0.00 C ATOM 203 CE LYS A 17 9.722 0.651 9.540 1.00 0.00 C ATOM 204 NZ LYS A 17 10.205 1.625 8.522 1.00 0.00 N ATOM 0 H LYS A 17 6.369 -3.050 9.456 1.00 0.00 H new ATOM 0 HA LYS A 17 5.101 -0.757 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.188 -0.723 10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.718 -1.224 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.366 1.029 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.402 1.464 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.552 2.234 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.433 0.711 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.513 0.462 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.499 -0.300 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.051 1.245 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.460 1.787 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.442 2.525 8.987 1.00 0.00 H new ATOM 218 N VAL A 18 6.365 0.017 6.402 1.00 0.00 N ATOM 219 CA VAL A 18 7.016 0.392 5.153 1.00 0.00 C ATOM 220 C VAL A 18 7.533 1.825 5.211 1.00 0.00 C ATOM 221 O VAL A 18 8.622 2.125 4.721 1.00 0.00 O ATOM 222 CB VAL A 18 6.057 0.252 3.956 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.289 -1.058 4.038 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.104 1.436 3.897 1.00 0.00 C ATOM 0 H VAL A 18 5.514 0.540 6.608 1.00 0.00 H new ATOM 0 HA VAL A 18 7.856 -0.289 5.017 1.00 0.00 H new ATOM 0 HB VAL A 18 6.646 0.243 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.616 -1.140 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.990 -1.892 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.709 -1.082 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.433 1.321 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.519 1.479 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.675 2.358 3.787 1.00 0.00 H new ATOM 234 N PHE A 19 6.744 2.709 5.814 1.00 0.00 N ATOM 235 CA PHE A 19 7.121 4.112 5.937 1.00 0.00 C ATOM 236 C PHE A 19 6.806 4.640 7.333 1.00 0.00 C ATOM 237 O PHE A 19 5.701 4.457 7.842 1.00 0.00 O ATOM 238 CB PHE A 19 6.392 4.952 4.885 1.00 0.00 C ATOM 239 CG PHE A 19 6.710 6.418 4.963 1.00 0.00 C ATOM 240 CD1 PHE A 19 7.969 6.885 4.624 1.00 0.00 C ATOM 241 CD2 PHE A 19 5.750 7.327 5.375 1.00 0.00 C ATOM 242 CE1 PHE A 19 8.265 8.234 4.694 1.00 0.00 C ATOM 243 CE2 PHE A 19 6.040 8.677 5.446 1.00 0.00 C ATOM 244 CZ PHE A 19 7.299 9.130 5.107 1.00 0.00 C ATOM 0 H PHE A 19 5.840 2.478 6.225 1.00 0.00 H new ATOM 0 HA PHE A 19 8.196 4.189 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.653 4.584 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.317 4.815 5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.728 6.188 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.764 6.978 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.250 8.586 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.282 9.376 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.528 10.184 5.165 1.00 0.00 H new ATOM 254 N GLU A 20 7.787 5.295 7.947 1.00 0.00 N ATOM 255 CA GLU A 20 7.615 5.848 9.285 1.00 0.00 C ATOM 256 C GLU A 20 8.299 7.207 9.404 1.00 0.00 C ATOM 257 O GLU A 20 9.526 7.302 9.365 1.00 0.00 O ATOM 258 CB GLU A 20 8.180 4.887 10.334 1.00 0.00 C ATOM 259 CG GLU A 20 8.218 5.472 11.736 1.00 0.00 C ATOM 260 CD GLU A 20 8.612 4.449 12.784 1.00 0.00 C ATOM 261 OE1 GLU A 20 9.804 4.080 12.833 1.00 0.00 O ATOM 262 OE2 GLU A 20 7.729 4.018 13.554 1.00 0.00 O ATOM 0 H GLU A 20 8.708 5.455 7.539 1.00 0.00 H new ATOM 0 HA GLU A 20 6.548 5.981 9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.578 3.979 10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.189 4.597 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.924 6.302 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.238 5.880 11.982 1.00 0.00 H new ATOM 269 N ARG A 21 7.496 8.256 9.548 1.00 0.00 N ATOM 270 CA ARG A 21 8.022 9.610 9.671 1.00 0.00 C ATOM 271 C ARG A 21 7.383 10.337 10.850 1.00 0.00 C ATOM 272 O ARG A 21 6.162 10.339 11.002 1.00 0.00 O ATOM 273 CB ARG A 21 7.776 10.395 8.381 1.00 0.00 C ATOM 274 CG ARG A 21 8.191 11.854 8.467 1.00 0.00 C ATOM 275 CD ARG A 21 8.379 12.462 7.086 1.00 0.00 C ATOM 276 NE ARG A 21 8.428 13.921 7.132 1.00 0.00 N ATOM 277 CZ ARG A 21 8.306 14.695 6.059 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.129 14.152 4.863 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.360 16.015 6.182 1.00 0.00 N ATOM 0 H ARG A 21 6.478 8.194 9.582 1.00 0.00 H new ATOM 0 HA ARG A 21 9.095 9.541 9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.321 9.918 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.717 10.342 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.434 12.417 9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.120 11.937 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.301 12.082 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.562 12.147 6.437 1.00 0.00 H new ATOM 0 HE ARG A 21 8.563 14.370 8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.086 13.138 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.036 14.748 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.495 16.436 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.266 16.608 5.358 1.00 0.00 H new ATOM 293 N GLU A 22 8.218 10.952 11.683 1.00 0.00 N ATOM 294 CA GLU A 22 7.734 11.680 12.849 1.00 0.00 C ATOM 295 C GLU A 22 6.420 12.391 12.540 1.00 0.00 C ATOM 296 O GLU A 22 6.404 13.433 11.885 1.00 0.00 O ATOM 297 CB GLU A 22 8.779 12.696 13.314 1.00 0.00 C ATOM 298 CG GLU A 22 8.936 13.880 12.375 1.00 0.00 C ATOM 299 CD GLU A 22 10.324 14.488 12.430 1.00 0.00 C ATOM 300 OE1 GLU A 22 11.259 13.794 12.881 1.00 0.00 O ATOM 301 OE2 GLU A 22 10.475 15.659 12.022 1.00 0.00 O ATOM 0 H GLU A 22 9.232 10.960 11.571 1.00 0.00 H new ATOM 0 HA GLU A 22 7.558 10.959 13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.503 13.062 14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.741 12.194 13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.724 13.560 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.199 14.642 12.630 1.00 0.00 H new ATOM 308 N GLY A 23 5.317 11.820 13.015 1.00 0.00 N ATOM 309 CA GLY A 23 4.013 12.411 12.779 1.00 0.00 C ATOM 310 C GLY A 23 3.099 11.501 11.983 1.00 0.00 C ATOM 311 O GLY A 23 1.963 11.248 12.382 1.00 0.00 O ATOM 0 H GLY A 23 5.304 10.958 13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.545 12.644 13.735 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.136 13.354 12.246 1.00 0.00 H new ATOM 315 N VAL A 24 3.595 11.008 10.852 1.00 0.00 N ATOM 316 CA VAL A 24 2.815 10.121 9.998 1.00 0.00 C ATOM 317 C VAL A 24 3.459 8.742 9.904 1.00 0.00 C ATOM 318 O VAL A 24 4.681 8.613 9.955 1.00 0.00 O ATOM 319 CB VAL A 24 2.660 10.701 8.579 1.00 0.00 C ATOM 320 CG1 VAL A 24 1.896 9.735 7.688 1.00 0.00 C ATOM 321 CG2 VAL A 24 1.967 12.054 8.630 1.00 0.00 C ATOM 0 H VAL A 24 4.534 11.208 10.506 1.00 0.00 H new ATOM 0 HA VAL A 24 1.829 10.028 10.454 1.00 0.00 H new ATOM 0 HB VAL A 24 3.653 10.843 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.796 10.162 6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.437 8.791 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.906 9.559 8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.866 12.449 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.979 11.940 9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.559 12.744 9.232 1.00 0.00 H new ATOM 331 N GLN A 25 2.626 7.715 9.766 1.00 0.00 N ATOM 332 CA GLN A 25 3.115 6.345 9.665 1.00 0.00 C ATOM 333 C GLN A 25 2.274 5.538 8.682 1.00 0.00 C ATOM 334 O GLN A 25 1.093 5.824 8.478 1.00 0.00 O ATOM 335 CB GLN A 25 3.099 5.673 11.039 1.00 0.00 C ATOM 336 CG GLN A 25 4.339 5.960 11.871 1.00 0.00 C ATOM 337 CD GLN A 25 4.095 5.797 13.358 1.00 0.00 C ATOM 338 OE1 GLN A 25 3.934 6.778 14.084 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.065 4.552 13.820 1.00 0.00 N ATOM 0 H GLN A 25 1.611 7.806 9.722 1.00 0.00 H new ATOM 0 HA GLN A 25 4.140 6.378 9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.218 6.007 11.587 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.002 4.595 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.142 5.290 11.563 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.678 6.977 11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.203 3.768 13.182 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.904 4.380 14.812 1.00 0.00 H new ATOM 348 N LEU A 26 2.888 4.529 8.074 1.00 0.00 N ATOM 349 CA LEU A 26 2.196 3.680 7.110 1.00 0.00 C ATOM 350 C LEU A 26 2.494 2.207 7.370 1.00 0.00 C ATOM 351 O LEU A 26 3.652 1.810 7.492 1.00 0.00 O ATOM 352 CB LEU A 26 2.607 4.052 5.685 1.00 0.00 C ATOM 353 CG LEU A 26 1.666 3.589 4.572 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.588 4.630 4.317 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.447 3.303 3.298 1.00 0.00 C ATOM 0 H LEU A 26 3.864 4.279 8.231 1.00 0.00 H new ATOM 0 HA LEU A 26 1.124 3.841 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.700 5.136 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.596 3.636 5.493 1.00 0.00 H new ATOM 0 HG LEU A 26 1.182 2.666 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.072 4.283 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.009 4.785 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.053 5.570 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.761 2.975 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.959 4.209 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.181 2.520 3.489 1.00 0.00 H new ATOM 367 N ASN A 27 1.441 1.401 7.452 1.00 0.00 N ATOM 368 CA ASN A 27 1.590 -0.029 7.695 1.00 0.00 C ATOM 369 C ASN A 27 1.040 -0.840 6.526 1.00 0.00 C ATOM 370 O ASN A 27 0.140 -0.392 5.814 1.00 0.00 O ATOM 371 CB ASN A 27 0.874 -0.425 8.987 1.00 0.00 C ATOM 372 CG ASN A 27 1.441 0.281 10.203 1.00 0.00 C ATOM 373 OD1 ASN A 27 1.180 1.579 10.309 1.00 0.00 O flip ATOM 374 ND2 ASN A 27 2.106 -0.333 11.037 1.00 0.00 N flip ATOM 0 H ASN A 27 0.475 1.714 7.354 1.00 0.00 H new ATOM 0 HA ASN A 27 2.653 -0.246 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.187 -0.192 8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.953 -1.503 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.282 -1.330 10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.481 0.155 11.850 1.00 0.00 H new ATOM 381 N LEU A 28 1.585 -2.036 6.334 1.00 0.00 N ATOM 382 CA LEU A 28 1.149 -2.912 5.251 1.00 0.00 C ATOM 383 C LEU A 28 0.578 -4.215 5.801 1.00 0.00 C ATOM 384 O LEU A 28 1.061 -4.741 6.804 1.00 0.00 O ATOM 385 CB LEU A 28 2.315 -3.210 4.308 1.00 0.00 C ATOM 386 CG LEU A 28 1.947 -3.474 2.848 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.099 -3.093 1.930 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.565 -4.933 2.650 1.00 0.00 C ATOM 0 H LEU A 28 2.330 -2.422 6.914 1.00 0.00 H new ATOM 0 HA LEU A 28 0.364 -2.399 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.007 -2.368 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.852 -4.079 4.689 1.00 0.00 H new ATOM 0 HG LEU A 28 1.086 -2.856 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.819 -3.288 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.326 -2.034 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.978 -3.684 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.306 -5.103 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.406 -5.570 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.708 -5.174 3.280 1.00 0.00 H new ATOM 400 N SER A 29 -0.451 -4.731 5.137 1.00 0.00 N ATOM 401 CA SER A 29 -1.088 -5.973 5.560 1.00 0.00 C ATOM 402 C SER A 29 -1.274 -6.919 4.378 1.00 0.00 C ATOM 403 O SER A 29 -1.928 -6.577 3.392 1.00 0.00 O ATOM 404 CB SER A 29 -2.441 -5.680 6.212 1.00 0.00 C ATOM 405 OG SER A 29 -2.276 -5.150 7.515 1.00 0.00 O ATOM 0 H SER A 29 -0.861 -4.309 4.304 1.00 0.00 H new ATOM 0 HA SER A 29 -0.438 -6.456 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.999 -4.974 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.030 -6.596 6.261 1.00 0.00 H new ATOM 0 HG SER A 29 -3.155 -4.970 7.909 1.00 0.00 H new ATOM 411 N PHE A 30 -0.694 -8.109 4.484 1.00 0.00 N ATOM 412 CA PHE A 30 -0.794 -9.106 3.423 1.00 0.00 C ATOM 413 C PHE A 30 -1.941 -10.075 3.694 1.00 0.00 C ATOM 414 O PHE A 30 -1.971 -10.744 4.727 1.00 0.00 O ATOM 415 CB PHE A 30 0.521 -9.877 3.294 1.00 0.00 C ATOM 416 CG PHE A 30 1.714 -8.994 3.063 1.00 0.00 C ATOM 417 CD1 PHE A 30 2.414 -8.459 4.132 1.00 0.00 C ATOM 418 CD2 PHE A 30 2.135 -8.699 1.776 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.513 -7.646 3.923 1.00 0.00 C ATOM 420 CE2 PHE A 30 3.233 -7.887 1.560 1.00 0.00 C ATOM 421 CZ PHE A 30 3.922 -7.359 2.635 1.00 0.00 C ATOM 0 H PHE A 30 -0.150 -8.408 5.293 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.995 -8.586 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.681 -10.461 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.438 -10.585 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.098 -8.679 5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.599 -9.108 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.051 -7.236 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.552 -7.666 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.779 -6.723 2.469 1.00 0.00 H new ATOM 431 N ILE A 31 -2.882 -10.144 2.759 1.00 0.00 N ATOM 432 CA ILE A 31 -4.031 -11.031 2.896 1.00 0.00 C ATOM 433 C ILE A 31 -4.007 -12.128 1.838 1.00 0.00 C ATOM 434 O ILE A 31 -3.803 -11.859 0.654 1.00 0.00 O ATOM 435 CB ILE A 31 -5.357 -10.256 2.787 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.617 -9.462 4.068 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.507 -11.211 2.507 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.673 -8.295 4.258 1.00 0.00 C ATOM 0 H ILE A 31 -2.872 -9.597 1.898 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.965 -11.483 3.886 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.282 -9.554 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.642 -9.091 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.532 -10.131 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.437 -10.648 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.324 -11.735 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.585 -11.935 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.916 -7.778 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.647 -8.661 4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.775 -7.605 3.421 1.00 0.00 H new ATOM 450 N ARG A 32 -4.219 -13.366 2.272 1.00 0.00 N ATOM 451 CA ARG A 32 -4.223 -14.505 1.362 1.00 0.00 C ATOM 452 C ARG A 32 -5.535 -15.277 1.462 1.00 0.00 C ATOM 453 O ARG A 32 -5.723 -16.119 2.340 1.00 0.00 O ATOM 454 CB ARG A 32 -3.048 -15.435 1.669 1.00 0.00 C ATOM 455 CG ARG A 32 -1.705 -14.894 1.204 1.00 0.00 C ATOM 456 CD ARG A 32 -1.434 -15.253 -0.249 1.00 0.00 C ATOM 457 NE ARG A 32 -0.867 -16.592 -0.385 1.00 0.00 N ATOM 458 CZ ARG A 32 -0.179 -16.995 -1.447 1.00 0.00 C ATOM 459 NH1 ARG A 32 0.027 -16.165 -2.461 1.00 0.00 N ATOM 460 NH2 ARG A 32 0.306 -18.229 -1.497 1.00 0.00 N ATOM 0 H ARG A 32 -4.390 -13.606 3.248 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.121 -14.125 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.007 -15.612 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.226 -16.400 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.687 -13.811 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.911 -15.296 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.363 -15.193 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.749 -14.524 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.007 -17.254 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.343 -15.215 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.556 -16.477 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.151 -18.870 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.834 -18.537 -2.314 1.00 0.00 H new ATOM 474 N PRO A 33 -6.467 -14.983 0.542 1.00 0.00 N ATOM 475 CA PRO A 33 -7.777 -15.638 0.506 1.00 0.00 C ATOM 476 C PRO A 33 -7.683 -17.101 0.085 1.00 0.00 C ATOM 477 O PRO A 33 -6.825 -17.490 -0.707 1.00 0.00 O ATOM 478 CB PRO A 33 -8.549 -14.829 -0.540 1.00 0.00 C ATOM 479 CG PRO A 33 -7.497 -14.248 -1.421 1.00 0.00 C ATOM 480 CD PRO A 33 -6.311 -13.989 -0.533 1.00 0.00 C ATOM 0 HA PRO A 33 -8.251 -15.655 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.233 -15.462 -1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.150 -14.049 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.239 -14.936 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.844 -13.326 -1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.371 -14.121 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.315 -12.971 -0.143 1.00 0.00 H new ATOM 488 N PRO A 34 -8.586 -17.932 0.627 1.00 0.00 N ATOM 489 CA PRO A 34 -8.625 -19.365 0.321 1.00 0.00 C ATOM 490 C PRO A 34 -9.083 -19.641 -1.107 1.00 0.00 C ATOM 491 O PRO A 34 -8.537 -20.510 -1.786 1.00 0.00 O ATOM 492 CB PRO A 34 -9.644 -19.914 1.324 1.00 0.00 C ATOM 493 CG PRO A 34 -10.520 -18.753 1.648 1.00 0.00 C ATOM 494 CD PRO A 34 -9.638 -17.537 1.578 1.00 0.00 C ATOM 0 HA PRO A 34 -7.640 -19.825 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.218 -20.736 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.152 -20.300 2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.346 -18.678 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.959 -18.860 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.187 -16.662 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.223 -17.285 2.554 1.00 0.00 H new ATOM 502 N GLU A 35 -10.087 -18.895 -1.557 1.00 0.00 N ATOM 503 CA GLU A 35 -10.617 -19.061 -2.905 1.00 0.00 C ATOM 504 C GLU A 35 -9.541 -18.783 -3.950 1.00 0.00 C ATOM 505 O GLU A 35 -9.427 -19.500 -4.944 1.00 0.00 O ATOM 506 CB GLU A 35 -11.811 -18.129 -3.126 1.00 0.00 C ATOM 507 CG GLU A 35 -11.442 -16.655 -3.113 1.00 0.00 C ATOM 508 CD GLU A 35 -12.627 -15.760 -2.803 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.123 -15.810 -1.658 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.057 -15.011 -3.704 1.00 0.00 O ATOM 0 H GLU A 35 -10.549 -18.170 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.947 -20.094 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.277 -18.370 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.555 -18.316 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.660 -16.486 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.027 -16.379 -4.083 1.00 0.00 H new ATOM 517 N ASN A 36 -8.754 -17.737 -3.719 1.00 0.00 N ATOM 518 CA ASN A 36 -7.688 -17.364 -4.640 1.00 0.00 C ATOM 519 C ASN A 36 -6.339 -17.337 -3.929 1.00 0.00 C ATOM 520 O ASN A 36 -5.930 -16.325 -3.358 1.00 0.00 O ATOM 521 CB ASN A 36 -7.978 -15.996 -5.261 1.00 0.00 C ATOM 522 CG ASN A 36 -8.889 -16.090 -6.469 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.487 -17.134 -6.730 1.00 0.00 O ATOM 524 ND2 ASN A 36 -9.000 -14.996 -7.213 1.00 0.00 N ATOM 0 H ASN A 36 -8.835 -17.133 -2.901 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.646 -18.113 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.437 -15.350 -4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.039 -15.527 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.599 -14.999 -8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.486 -14.152 -6.959 1.00 0.00 H new ATOM 531 N PRO A 37 -5.629 -18.474 -3.963 1.00 0.00 N ATOM 532 CA PRO A 37 -4.314 -18.606 -3.327 1.00 0.00 C ATOM 533 C PRO A 37 -3.239 -17.799 -4.046 1.00 0.00 C ATOM 534 O PRO A 37 -2.291 -17.320 -3.425 1.00 0.00 O ATOM 535 CB PRO A 37 -4.018 -20.104 -3.433 1.00 0.00 C ATOM 536 CG PRO A 37 -4.812 -20.565 -4.607 1.00 0.00 C ATOM 537 CD PRO A 37 -6.054 -19.719 -4.625 1.00 0.00 C ATOM 0 HA PRO A 37 -4.316 -18.229 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.953 -20.288 -3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.312 -20.631 -2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.246 -20.447 -5.531 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.061 -21.622 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.400 -19.535 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.874 -20.198 -4.091 1.00 0.00 H new ATOM 545 N ALA A 38 -3.394 -17.651 -5.358 1.00 0.00 N ATOM 546 CA ALA A 38 -2.437 -16.899 -6.160 1.00 0.00 C ATOM 547 C ALA A 38 -2.725 -15.403 -6.098 1.00 0.00 C ATOM 548 O ALA A 38 -1.992 -14.595 -6.670 1.00 0.00 O ATOM 549 CB ALA A 38 -2.462 -17.384 -7.602 1.00 0.00 C ATOM 0 H ALA A 38 -4.173 -18.042 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.442 -17.068 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.743 -16.814 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.201 -18.442 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.461 -17.244 -8.016 1.00 0.00 H new ATOM 555 N LEU A 39 -3.796 -15.040 -5.401 1.00 0.00 N ATOM 556 CA LEU A 39 -4.181 -13.639 -5.265 1.00 0.00 C ATOM 557 C LEU A 39 -3.638 -13.049 -3.967 1.00 0.00 C ATOM 558 O LEU A 39 -3.734 -13.664 -2.904 1.00 0.00 O ATOM 559 CB LEU A 39 -5.704 -13.503 -5.302 1.00 0.00 C ATOM 560 CG LEU A 39 -6.255 -12.085 -5.145 1.00 0.00 C ATOM 561 CD1 LEU A 39 -5.996 -11.269 -6.402 1.00 0.00 C ATOM 562 CD2 LEU A 39 -7.743 -12.123 -4.829 1.00 0.00 C ATOM 0 H LEU A 39 -4.413 -15.696 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.752 -13.087 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.062 -13.908 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.124 -14.124 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.739 -11.606 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.395 -10.263 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.923 -11.213 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.484 -11.745 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.118 -11.105 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.275 -12.621 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.904 -12.670 -3.900 1.00 0.00 H new ATOM 574 N LEU A 40 -3.068 -11.853 -4.061 1.00 0.00 N ATOM 575 CA LEU A 40 -2.511 -11.177 -2.894 1.00 0.00 C ATOM 576 C LEU A 40 -3.197 -9.835 -2.663 1.00 0.00 C ATOM 577 O LEU A 40 -2.938 -8.862 -3.373 1.00 0.00 O ATOM 578 CB LEU A 40 -1.006 -10.969 -3.071 1.00 0.00 C ATOM 579 CG LEU A 40 -0.266 -10.370 -1.875 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.140 -11.393 -0.757 1.00 0.00 C ATOM 581 CD2 LEU A 40 1.107 -9.866 -2.295 1.00 0.00 C ATOM 0 H LEU A 40 -2.979 -11.331 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.685 -11.808 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.552 -11.931 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.848 -10.320 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.844 -9.524 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.390 -10.948 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.134 -11.706 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.415 -12.259 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.619 -9.443 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.692 -10.694 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.994 -9.099 -3.061 1.00 0.00 H new ATOM 593 N LEU A 41 -4.072 -9.788 -1.664 1.00 0.00 N ATOM 594 CA LEU A 41 -4.795 -8.564 -1.337 1.00 0.00 C ATOM 595 C LEU A 41 -4.028 -7.737 -0.310 1.00 0.00 C ATOM 596 O LEU A 41 -4.060 -8.030 0.886 1.00 0.00 O ATOM 597 CB LEU A 41 -6.188 -8.899 -0.801 1.00 0.00 C ATOM 598 CG LEU A 41 -7.078 -9.735 -1.722 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.307 -10.227 -0.973 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.485 -8.929 -2.947 1.00 0.00 C ATOM 0 H LEU A 41 -4.298 -10.583 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.895 -7.975 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.074 -9.432 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.704 -7.965 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.509 -10.603 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.929 -10.820 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.996 -10.842 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.878 -9.373 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.118 -9.540 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.036 -8.042 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.593 -8.627 -3.496 1.00 0.00 H new ATOM 612 N ILE A 42 -3.342 -6.703 -0.784 1.00 0.00 N ATOM 613 CA ILE A 42 -2.571 -5.831 0.093 1.00 0.00 C ATOM 614 C ILE A 42 -3.413 -4.658 0.582 1.00 0.00 C ATOM 615 O ILE A 42 -4.285 -4.164 -0.133 1.00 0.00 O ATOM 616 CB ILE A 42 -1.316 -5.288 -0.615 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.268 -6.393 -0.764 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.743 -4.107 0.155 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.898 -6.005 -1.646 1.00 0.00 C ATOM 0 H ILE A 42 -3.304 -6.448 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.264 -6.435 0.947 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.598 -4.946 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.107 -6.662 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.745 -7.282 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.144 -3.734 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.489 -3.314 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.473 -4.426 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.601 -6.836 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.534 -5.764 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.400 -5.135 -1.223 1.00 0.00 H new ATOM 631 N THR A 43 -3.146 -4.215 1.807 1.00 0.00 N ATOM 632 CA THR A 43 -3.878 -3.099 2.393 1.00 0.00 C ATOM 633 C THR A 43 -2.925 -2.048 2.950 1.00 0.00 C ATOM 634 O THR A 43 -1.772 -2.346 3.263 1.00 0.00 O ATOM 635 CB THR A 43 -4.818 -3.573 3.518 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.534 -4.740 3.100 1.00 0.00 O ATOM 637 CG2 THR A 43 -5.802 -2.477 3.898 1.00 0.00 C ATOM 0 H THR A 43 -2.428 -4.612 2.413 1.00 0.00 H new ATOM 0 HA THR A 43 -4.474 -2.657 1.594 1.00 0.00 H new ATOM 0 HB THR A 43 -4.211 -3.814 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.128 -5.035 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.455 -2.835 4.694 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.254 -1.600 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.402 -2.210 3.028 1.00 0.00 H new ATOM 645 N ILE A 44 -3.414 -0.819 3.073 1.00 0.00 N ATOM 646 CA ILE A 44 -2.606 0.276 3.596 1.00 0.00 C ATOM 647 C ILE A 44 -3.306 0.970 4.759 1.00 0.00 C ATOM 648 O ILE A 44 -4.528 1.119 4.764 1.00 0.00 O ATOM 649 CB ILE A 44 -2.294 1.316 2.504 1.00 0.00 C ATOM 650 CG1 ILE A 44 -2.037 0.621 1.165 1.00 0.00 C ATOM 651 CG2 ILE A 44 -1.097 2.164 2.906 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.624 1.570 0.061 1.00 0.00 C ATOM 0 H ILE A 44 -4.366 -0.556 2.818 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.672 -0.161 3.948 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.157 1.972 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.258 -0.130 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.940 0.093 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.889 2.894 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.316 2.684 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.227 1.523 3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.459 1.009 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.412 2.306 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.704 2.080 0.345 1.00 0.00 H new ATOM 664 N THR A 45 -2.522 1.396 5.745 1.00 0.00 N ATOM 665 CA THR A 45 -3.066 2.076 6.914 1.00 0.00 C ATOM 666 C THR A 45 -2.266 3.331 7.242 1.00 0.00 C ATOM 667 O THR A 45 -1.347 3.297 8.059 1.00 0.00 O ATOM 668 CB THR A 45 -3.077 1.152 8.146 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.889 0.001 7.889 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.604 1.887 9.369 1.00 0.00 C ATOM 0 H THR A 45 -1.508 1.282 5.757 1.00 0.00 H new ATOM 0 HA THR A 45 -4.091 2.355 6.669 1.00 0.00 H new ATOM 0 HB THR A 45 -2.053 0.836 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.889 -0.582 8.677 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.602 1.214 10.227 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.967 2.746 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.621 2.229 9.178 1.00 0.00 H new ATOM 678 N ALA A 46 -2.622 4.438 6.599 1.00 0.00 N ATOM 679 CA ALA A 46 -1.938 5.706 6.824 1.00 0.00 C ATOM 680 C ALA A 46 -2.554 6.460 7.998 1.00 0.00 C ATOM 681 O ALA A 46 -3.710 6.881 7.942 1.00 0.00 O ATOM 682 CB ALA A 46 -1.980 6.559 5.566 1.00 0.00 C ATOM 0 H ALA A 46 -3.380 4.483 5.918 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.898 5.491 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.466 7.502 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.488 6.029 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.017 6.758 5.296 1.00 0.00 H new ATOM 688 N THR A 47 -1.775 6.628 9.062 1.00 0.00 N ATOM 689 CA THR A 47 -2.244 7.330 10.250 1.00 0.00 C ATOM 690 C THR A 47 -1.489 8.640 10.449 1.00 0.00 C ATOM 691 O THR A 47 -0.295 8.728 10.165 1.00 0.00 O ATOM 692 CB THR A 47 -2.087 6.464 11.513 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.867 5.717 11.447 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.263 5.511 11.666 1.00 0.00 C ATOM 0 H THR A 47 -0.816 6.287 9.125 1.00 0.00 H new ATOM 0 HA THR A 47 -3.301 7.543 10.094 1.00 0.00 H new ATOM 0 HB THR A 47 -2.061 7.126 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.774 5.170 12.255 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.129 4.910 12.565 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.187 6.083 11.746 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.316 4.856 10.796 1.00 0.00 H new ATOM 702 N ASN A 48 -2.193 9.655 10.939 1.00 0.00 N ATOM 703 CA ASN A 48 -1.589 10.961 11.176 1.00 0.00 C ATOM 704 C ASN A 48 -1.927 11.471 12.573 1.00 0.00 C ATOM 705 O ASN A 48 -3.084 11.441 12.994 1.00 0.00 O ATOM 706 CB ASN A 48 -2.065 11.965 10.125 1.00 0.00 C ATOM 707 CG ASN A 48 -1.468 13.343 10.329 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.295 13.478 10.679 1.00 0.00 O ATOM 709 ND2 ASN A 48 -2.274 14.376 10.112 1.00 0.00 N ATOM 0 H ASN A 48 -3.183 9.598 11.180 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.507 10.852 11.100 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.800 11.601 9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.152 12.035 10.159 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.928 15.328 10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.239 14.218 9.823 1.00 0.00 H new ATOM 716 N PHE A 49 -0.910 11.940 13.289 1.00 0.00 N ATOM 717 CA PHE A 49 -1.099 12.458 14.639 1.00 0.00 C ATOM 718 C PHE A 49 -0.529 13.867 14.766 1.00 0.00 C ATOM 719 O PHE A 49 -0.705 14.529 15.789 1.00 0.00 O ATOM 720 CB PHE A 49 -0.434 11.532 15.660 1.00 0.00 C ATOM 721 CG PHE A 49 -1.022 10.150 15.688 1.00 0.00 C ATOM 722 CD1 PHE A 49 -2.207 9.900 16.362 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.390 9.101 15.041 1.00 0.00 C ATOM 724 CE1 PHE A 49 -2.749 8.629 16.390 1.00 0.00 C ATOM 725 CE2 PHE A 49 -0.927 7.828 15.066 1.00 0.00 C ATOM 726 CZ PHE A 49 -2.109 7.592 15.740 1.00 0.00 C ATOM 0 H PHE A 49 0.054 11.972 12.956 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.170 12.500 14.839 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.630 11.461 15.435 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.521 11.976 16.652 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.712 10.707 16.871 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.534 9.280 14.511 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.672 8.447 16.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.423 7.019 14.559 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.532 6.598 15.759 1.00 0.00 H new ATOM 736 N SER A 50 0.154 14.319 13.720 1.00 0.00 N ATOM 737 CA SER A 50 0.755 15.648 13.715 1.00 0.00 C ATOM 738 C SER A 50 -0.297 16.720 13.982 1.00 0.00 C ATOM 739 O SER A 50 -1.481 16.419 14.133 1.00 0.00 O ATOM 740 CB SER A 50 1.442 15.915 12.375 1.00 0.00 C ATOM 741 OG SER A 50 0.510 15.887 11.308 1.00 0.00 O ATOM 0 H SER A 50 0.305 13.785 12.864 1.00 0.00 H new ATOM 0 HA SER A 50 1.499 15.687 14.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.937 16.886 12.404 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.217 15.167 12.205 1.00 0.00 H new ATOM 0 HG SER A 50 0.492 14.990 10.913 1.00 0.00 H new ATOM 747 N GLU A 51 0.144 17.973 14.039 1.00 0.00 N ATOM 748 CA GLU A 51 -0.759 19.090 14.289 1.00 0.00 C ATOM 749 C GLU A 51 -1.258 19.690 12.978 1.00 0.00 C ATOM 750 O GLU A 51 -1.978 20.688 12.973 1.00 0.00 O ATOM 751 CB GLU A 51 -0.057 20.166 15.121 1.00 0.00 C ATOM 752 CG GLU A 51 1.273 20.614 14.538 1.00 0.00 C ATOM 753 CD GLU A 51 1.797 21.880 15.188 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.009 22.836 15.344 1.00 0.00 O ATOM 755 OE2 GLU A 51 2.995 21.915 15.539 1.00 0.00 O ATOM 0 H GLU A 51 1.121 18.240 13.915 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.617 18.713 14.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.715 21.031 15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.107 19.785 16.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.006 19.817 14.660 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.159 20.780 13.467 1.00 0.00 H new ATOM 762 N GLY A 52 -0.869 19.074 11.865 1.00 0.00 N ATOM 763 CA GLY A 52 -1.285 19.561 10.563 1.00 0.00 C ATOM 764 C GLY A 52 -2.037 18.514 9.766 1.00 0.00 C ATOM 765 O GLY A 52 -1.454 17.526 9.320 1.00 0.00 O ATOM 0 H GLY A 52 -0.273 18.246 11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.918 20.439 10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.408 19.881 10.001 1.00 0.00 H new ATOM 769 N ASP A 53 -3.336 18.730 9.588 1.00 0.00 N ATOM 770 CA ASP A 53 -4.170 17.796 8.839 1.00 0.00 C ATOM 771 C ASP A 53 -3.599 17.555 7.445 1.00 0.00 C ATOM 772 O ASP A 53 -3.023 18.456 6.834 1.00 0.00 O ATOM 773 CB ASP A 53 -5.600 18.329 8.733 1.00 0.00 C ATOM 774 CG ASP A 53 -6.270 18.460 10.087 1.00 0.00 C ATOM 775 OD1 ASP A 53 -5.804 19.281 10.903 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.262 17.741 10.328 1.00 0.00 O ATOM 0 H ASP A 53 -3.834 19.543 9.952 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.183 16.847 9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.587 19.302 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.188 17.662 8.103 1.00 0.00 H new ATOM 781 N VAL A 54 -3.762 16.333 6.947 1.00 0.00 N ATOM 782 CA VAL A 54 -3.263 15.973 5.626 1.00 0.00 C ATOM 783 C VAL A 54 -4.411 15.729 4.653 1.00 0.00 C ATOM 784 O VAL A 54 -5.373 15.029 4.972 1.00 0.00 O ATOM 785 CB VAL A 54 -2.378 14.715 5.683 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.200 14.122 4.294 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.030 15.040 6.310 1.00 0.00 C ATOM 0 H VAL A 54 -4.236 15.576 7.439 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.664 16.813 5.275 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.874 13.972 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.571 13.234 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.174 13.850 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.727 14.857 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.417 14.139 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.526 15.801 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.180 15.413 7.323 1.00 0.00 H new ATOM 797 N THR A 55 -4.305 16.312 3.462 1.00 0.00 N ATOM 798 CA THR A 55 -5.334 16.158 2.442 1.00 0.00 C ATOM 799 C THR A 55 -4.721 15.806 1.091 1.00 0.00 C ATOM 800 O THR A 55 -3.506 15.648 0.972 1.00 0.00 O ATOM 801 CB THR A 55 -6.173 17.442 2.293 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.315 18.563 2.057 1.00 0.00 O ATOM 803 CG2 THR A 55 -7.008 17.690 3.540 1.00 0.00 C ATOM 0 H THR A 55 -3.517 16.895 3.181 1.00 0.00 H new ATOM 0 HA THR A 55 -5.982 15.344 2.767 1.00 0.00 H new ATOM 0 HB THR A 55 -6.845 17.314 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.856 19.375 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.592 18.602 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.681 16.848 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.350 17.799 4.403 1.00 0.00 H new ATOM 811 N HIS A 56 -5.570 15.686 0.075 1.00 0.00 N ATOM 812 CA HIS A 56 -5.110 15.353 -1.269 1.00 0.00 C ATOM 813 C HIS A 56 -3.971 14.340 -1.218 1.00 0.00 C ATOM 814 O HIS A 56 -2.915 14.547 -1.818 1.00 0.00 O ATOM 815 CB HIS A 56 -4.655 16.615 -2.002 1.00 0.00 C ATOM 816 CG HIS A 56 -5.760 17.593 -2.255 1.00 0.00 C ATOM 817 ND1 HIS A 56 -5.677 18.927 -1.916 1.00 0.00 N ATOM 818 CD2 HIS A 56 -6.979 17.425 -2.819 1.00 0.00 C ATOM 819 CE1 HIS A 56 -6.798 19.537 -2.259 1.00 0.00 C ATOM 820 NE2 HIS A 56 -7.604 18.647 -2.810 1.00 0.00 N ATOM 0 H HIS A 56 -6.579 15.814 0.156 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.944 14.908 -1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.876 17.104 -1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.208 16.331 -2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.384 16.501 -3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.018 20.584 -2.114 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.539 18.837 -3.170 1.00 0.00 H new ATOM 828 N PHE A 57 -4.190 13.245 -0.499 1.00 0.00 N ATOM 829 CA PHE A 57 -3.181 12.200 -0.368 1.00 0.00 C ATOM 830 C PHE A 57 -3.392 11.107 -1.411 1.00 0.00 C ATOM 831 O PHE A 57 -4.329 10.314 -1.314 1.00 0.00 O ATOM 832 CB PHE A 57 -3.221 11.596 1.037 1.00 0.00 C ATOM 833 CG PHE A 57 -2.707 10.185 1.097 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.538 9.831 0.443 1.00 0.00 C ATOM 835 CD2 PHE A 57 -3.394 9.214 1.807 1.00 0.00 C ATOM 836 CE1 PHE A 57 -1.063 8.534 0.496 1.00 0.00 C ATOM 837 CE2 PHE A 57 -2.923 7.916 1.865 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.757 7.575 1.207 1.00 0.00 C ATOM 0 H PHE A 57 -5.058 13.058 0.003 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.203 12.651 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.630 12.219 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.247 11.617 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.992 10.577 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.308 9.474 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.150 8.271 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.466 7.169 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.389 6.560 1.249 1.00 0.00 H new ATOM 848 N ILE A 58 -2.514 11.071 -2.408 1.00 0.00 N ATOM 849 CA ILE A 58 -2.604 10.075 -3.469 1.00 0.00 C ATOM 850 C ILE A 58 -1.632 8.926 -3.227 1.00 0.00 C ATOM 851 O ILE A 58 -0.426 9.137 -3.089 1.00 0.00 O ATOM 852 CB ILE A 58 -2.315 10.695 -4.849 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.472 11.600 -5.278 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.078 9.603 -5.881 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.459 12.956 -4.609 1.00 0.00 C ATOM 0 H ILE A 58 -1.733 11.720 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.625 9.693 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.412 11.301 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.434 11.737 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.415 11.102 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.875 10.057 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.225 8.996 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.964 8.973 -5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.307 13.543 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.528 12.829 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.532 13.474 -4.855 1.00 0.00 H new ATOM 867 N CYS A 59 -2.163 7.709 -3.179 1.00 0.00 N ATOM 868 CA CYS A 59 -1.343 6.524 -2.954 1.00 0.00 C ATOM 869 C CYS A 59 -1.292 5.653 -4.205 1.00 0.00 C ATOM 870 O CYS A 59 -2.246 4.941 -4.516 1.00 0.00 O ATOM 871 CB CYS A 59 -1.889 5.716 -1.777 1.00 0.00 C ATOM 872 SG CYS A 59 -0.759 4.441 -1.170 1.00 0.00 S ATOM 0 H CYS A 59 -3.158 7.517 -3.293 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.330 6.852 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.123 6.398 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.825 5.244 -2.077 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.953 4.260 0.103 1.00 0.00 H new ATOM 878 N GLN A 60 -0.173 5.718 -4.920 1.00 0.00 N ATOM 879 CA GLN A 60 0.000 4.936 -6.139 1.00 0.00 C ATOM 880 C GLN A 60 0.996 3.802 -5.921 1.00 0.00 C ATOM 881 O GLN A 60 1.711 3.774 -4.920 1.00 0.00 O ATOM 882 CB GLN A 60 0.475 5.835 -7.282 1.00 0.00 C ATOM 883 CG GLN A 60 -0.432 7.029 -7.534 1.00 0.00 C ATOM 884 CD GLN A 60 -0.347 7.535 -8.961 1.00 0.00 C ATOM 885 OE1 GLN A 60 0.199 6.865 -9.838 1.00 0.00 O ATOM 886 NE2 GLN A 60 -0.889 8.723 -9.201 1.00 0.00 N ATOM 0 H GLN A 60 0.626 6.303 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.964 4.502 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.480 6.193 -7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.544 5.243 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.462 6.751 -7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.164 7.835 -6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.331 9.244 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.863 9.115 -10.142 1.00 0.00 H new ATOM 895 N ALA A 61 1.037 2.868 -6.865 1.00 0.00 N ATOM 896 CA ALA A 61 1.946 1.732 -6.777 1.00 0.00 C ATOM 897 C ALA A 61 2.347 1.241 -8.164 1.00 0.00 C ATOM 898 O ALA A 61 1.890 1.771 -9.177 1.00 0.00 O ATOM 899 CB ALA A 61 1.306 0.604 -5.981 1.00 0.00 C ATOM 0 H ALA A 61 0.451 2.876 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 61 2.848 2.060 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.996 -0.238 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.076 0.954 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.387 0.287 -6.474 1.00 0.00 H new ATOM 905 N ALA A 62 3.204 0.226 -8.203 1.00 0.00 N ATOM 906 CA ALA A 62 3.665 -0.338 -9.466 1.00 0.00 C ATOM 907 C ALA A 62 4.104 -1.787 -9.292 1.00 0.00 C ATOM 908 O ALA A 62 4.708 -2.147 -8.281 1.00 0.00 O ATOM 909 CB ALA A 62 4.804 0.498 -10.031 1.00 0.00 C ATOM 0 H ALA A 62 3.593 -0.223 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 62 2.833 -0.321 -10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.139 0.066 -10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.457 1.517 -10.201 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.632 0.510 -9.323 1.00 0.00 H new ATOM 915 N VAL A 63 3.798 -2.617 -10.285 1.00 0.00 N ATOM 916 CA VAL A 63 4.162 -4.028 -10.242 1.00 0.00 C ATOM 917 C VAL A 63 4.715 -4.494 -11.584 1.00 0.00 C ATOM 918 O VAL A 63 4.349 -3.986 -12.645 1.00 0.00 O ATOM 919 CB VAL A 63 2.955 -4.907 -9.864 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.272 -4.368 -8.617 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.975 -4.994 -11.024 1.00 0.00 C ATOM 0 H VAL A 63 3.299 -2.336 -11.129 1.00 0.00 H new ATOM 0 HA VAL A 63 4.933 -4.133 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 63 3.314 -5.913 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.422 -5.002 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.979 -4.364 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.925 -3.352 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.129 -5.619 -10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.620 -3.995 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.473 -5.431 -11.889 1.00 0.00 H new ATOM 931 N PRO A 64 5.619 -5.484 -11.540 1.00 0.00 N ATOM 932 CA PRO A 64 6.242 -6.041 -12.744 1.00 0.00 C ATOM 933 C PRO A 64 5.258 -6.845 -13.587 1.00 0.00 C ATOM 934 O PRO A 64 4.354 -7.491 -13.057 1.00 0.00 O ATOM 935 CB PRO A 64 7.338 -6.953 -12.187 1.00 0.00 C ATOM 936 CG PRO A 64 6.864 -7.326 -10.825 1.00 0.00 C ATOM 937 CD PRO A 64 6.102 -6.136 -10.311 1.00 0.00 C ATOM 0 HA PRO A 64 6.614 -5.261 -13.408 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.476 -7.834 -12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.298 -6.438 -12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.228 -8.210 -10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.703 -7.564 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.277 -6.436 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.740 -5.472 -9.728 1.00 0.00 H new ATOM 945 N LYS A 65 5.439 -6.801 -14.903 1.00 0.00 N ATOM 946 CA LYS A 65 4.568 -7.526 -15.820 1.00 0.00 C ATOM 947 C LYS A 65 4.209 -8.898 -15.259 1.00 0.00 C ATOM 948 O LYS A 65 3.078 -9.362 -15.404 1.00 0.00 O ATOM 949 CB LYS A 65 5.247 -7.682 -17.183 1.00 0.00 C ATOM 950 CG LYS A 65 6.717 -8.053 -17.092 1.00 0.00 C ATOM 951 CD LYS A 65 7.505 -7.501 -18.269 1.00 0.00 C ATOM 952 CE LYS A 65 7.493 -8.463 -19.447 1.00 0.00 C ATOM 953 NZ LYS A 65 7.893 -7.791 -20.715 1.00 0.00 N ATOM 0 H LYS A 65 6.182 -6.270 -15.358 1.00 0.00 H new ATOM 0 HA LYS A 65 3.650 -6.951 -15.941 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.723 -8.447 -17.755 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.150 -6.748 -17.737 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.134 -7.668 -16.161 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.818 -9.138 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.082 -6.544 -18.575 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.534 -7.312 -17.963 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.171 -9.292 -19.246 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.495 -8.887 -19.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.872 -8.479 -21.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.231 -7.015 -20.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.855 -7.408 -20.617 1.00 0.00 H new ATOM 967 N SER A 66 5.178 -9.543 -14.617 1.00 0.00 N ATOM 968 CA SER A 66 4.964 -10.863 -14.036 1.00 0.00 C ATOM 969 C SER A 66 3.674 -10.896 -13.223 1.00 0.00 C ATOM 970 O SER A 66 2.864 -11.814 -13.358 1.00 0.00 O ATOM 971 CB SER A 66 6.150 -11.252 -13.151 1.00 0.00 C ATOM 972 OG SER A 66 6.010 -12.576 -12.665 1.00 0.00 O ATOM 0 H SER A 66 6.119 -9.172 -14.486 1.00 0.00 H new ATOM 0 HA SER A 66 4.877 -11.582 -14.850 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.076 -11.166 -13.720 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.225 -10.559 -12.313 1.00 0.00 H new ATOM 0 HG SER A 66 6.897 -12.972 -12.535 1.00 0.00 H new ATOM 978 N LEU A 67 3.490 -9.887 -12.377 1.00 0.00 N ATOM 979 CA LEU A 67 2.298 -9.799 -11.540 1.00 0.00 C ATOM 980 C LEU A 67 1.345 -8.728 -12.061 1.00 0.00 C ATOM 981 O LEU A 67 1.667 -8.003 -13.003 1.00 0.00 O ATOM 982 CB LEU A 67 2.689 -9.490 -10.094 1.00 0.00 C ATOM 983 CG LEU A 67 3.952 -10.181 -9.577 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.399 -9.561 -8.263 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.712 -11.674 -9.411 1.00 0.00 C ATOM 0 H LEU A 67 4.150 -9.120 -12.253 1.00 0.00 H new ATOM 0 HA LEU A 67 1.787 -10.761 -11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.823 -8.413 -9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.857 -9.767 -9.447 1.00 0.00 H new ATOM 0 HG LEU A 67 4.747 -10.041 -10.310 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.299 -10.065 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.612 -8.503 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.608 -9.670 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.621 -12.150 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.903 -11.835 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.440 -12.108 -10.373 1.00 0.00 H new ATOM 997 N GLN A 68 0.173 -8.634 -11.442 1.00 0.00 N ATOM 998 CA GLN A 68 -0.826 -7.651 -11.843 1.00 0.00 C ATOM 999 C GLN A 68 -1.118 -6.677 -10.706 1.00 0.00 C ATOM 1000 O GLN A 68 -0.797 -6.944 -9.547 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.116 -8.350 -12.275 1.00 0.00 C ATOM 1002 CG GLN A 68 -2.922 -7.563 -13.296 1.00 0.00 C ATOM 1003 CD GLN A 68 -3.879 -8.436 -14.082 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -3.468 -9.187 -14.968 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -5.165 -8.343 -13.762 1.00 0.00 N ATOM 0 H GLN A 68 -0.108 -9.227 -10.661 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.427 -7.088 -12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.868 -9.325 -12.694 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.735 -8.529 -11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.485 -6.782 -12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.240 -7.065 -13.986 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.462 -7.708 -13.021 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.856 -8.907 -14.257 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.728 -5.546 -11.044 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.063 -4.531 -10.052 1.00 0.00 C ATOM 1016 C LEU A 69 -3.439 -3.933 -10.328 1.00 0.00 C ATOM 1017 O LEU A 69 -3.762 -3.596 -11.466 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.006 -3.426 -10.046 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.150 -2.365 -8.955 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -1.255 -3.018 -7.585 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.022 -1.395 -8.996 1.00 0.00 C ATOM 0 H LEU A 69 -2.001 -5.309 -11.998 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.085 -5.009 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.025 -3.890 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.026 -2.927 -11.015 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.067 -1.805 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.357 -2.247 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.127 -3.672 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.357 -3.604 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.097 -0.647 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.952 -1.941 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.052 -0.901 -9.967 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.244 -3.803 -9.278 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.584 -3.244 -9.408 1.00 0.00 C ATOM 1035 C GLN A 70 -5.854 -2.217 -8.313 1.00 0.00 C ATOM 1036 O GLN A 70 -5.750 -2.520 -7.124 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.632 -4.357 -9.350 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.052 -3.868 -9.580 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.740 -3.449 -8.295 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.859 -2.259 -8.001 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -9.198 -4.427 -7.522 1.00 0.00 N ATOM 0 H GLN A 70 -3.991 -4.077 -8.329 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.649 -2.744 -10.374 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.391 -5.111 -10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.578 -4.845 -8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.035 -3.024 -10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.632 -4.658 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.077 -5.400 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.670 -4.206 -6.645 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.201 -1.002 -8.722 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.486 0.071 -7.775 1.00 0.00 C ATOM 1052 C LEU A 71 -7.972 0.114 -7.432 1.00 0.00 C ATOM 1053 O LEU A 71 -8.810 0.378 -8.294 1.00 0.00 O ATOM 1054 CB LEU A 71 -6.045 1.417 -8.352 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.842 2.547 -7.341 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.829 3.554 -7.862 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.166 3.230 -7.032 1.00 0.00 C ATOM 0 H LEU A 71 -6.292 -0.735 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.927 -0.126 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.111 1.269 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.789 1.738 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.454 2.117 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.698 4.350 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.874 3.056 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.188 3.979 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.003 4.031 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.583 3.646 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.862 2.502 -6.614 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.290 -0.145 -6.168 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.675 -0.134 -5.711 1.00 0.00 C ATOM 1071 C GLN A 72 -10.058 1.239 -5.170 1.00 0.00 C ATOM 1072 O GLN A 72 -9.212 1.978 -4.669 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.887 -1.199 -4.633 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.252 -1.127 -3.968 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.383 -1.465 -4.919 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -13.390 -0.759 -4.980 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -12.222 -2.549 -5.669 1.00 0.00 N ATOM 0 H GLN A 72 -7.608 -0.365 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.315 -0.359 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.761 -2.186 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.115 -1.092 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.276 -1.814 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.405 -0.124 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.371 -3.105 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.949 -2.826 -6.328 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.341 1.573 -5.274 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.837 2.856 -4.793 1.00 0.00 C ATOM 1088 C ALA A 73 -11.518 3.049 -3.314 1.00 0.00 C ATOM 1089 O ALA A 73 -11.961 2.286 -2.455 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.336 2.965 -5.031 1.00 0.00 C ATOM 0 H ALA A 73 -12.055 0.973 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.333 3.645 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.693 3.928 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.542 2.881 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.848 2.163 -4.499 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.733 4.092 -3.008 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.338 4.408 -1.632 1.00 0.00 C ATOM 1098 C PRO A 74 -11.506 4.918 -0.796 1.00 0.00 C ATOM 1099 O PRO A 74 -12.659 4.867 -1.226 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.287 5.507 -1.808 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.618 6.141 -3.115 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.169 5.042 -3.981 1.00 0.00 C ATOM 0 HA PRO A 74 -9.971 3.529 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.331 6.231 -0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.279 5.093 -1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.348 6.940 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.733 6.587 -3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.930 5.414 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.391 4.580 -4.589 1.00 0.00 H new ATOM 1110 N SER A 75 -11.202 5.410 0.401 1.00 0.00 N ATOM 1111 CA SER A 75 -12.229 5.926 1.299 1.00 0.00 C ATOM 1112 C SER A 75 -12.268 7.451 1.258 1.00 0.00 C ATOM 1113 O SER A 75 -13.340 8.055 1.243 1.00 0.00 O ATOM 1114 CB SER A 75 -11.972 5.449 2.729 1.00 0.00 C ATOM 1115 OG SER A 75 -12.784 6.151 3.654 1.00 0.00 O ATOM 0 H SER A 75 -10.253 5.462 0.771 1.00 0.00 H new ATOM 0 HA SER A 75 -13.194 5.546 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.174 4.380 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.921 5.593 2.980 1.00 0.00 H new ATOM 0 HG SER A 75 -12.602 5.827 4.561 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.090 8.068 1.242 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.011 9.516 1.204 1.00 0.00 C ATOM 1123 C GLY A 76 -9.585 10.016 1.088 1.00 0.00 C ATOM 1124 O GLY A 76 -8.641 9.303 1.423 1.00 0.00 O ATOM 0 H GLY A 76 -10.189 7.590 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.592 9.886 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.464 9.925 2.107 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.428 11.246 0.610 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.106 11.841 0.447 1.00 0.00 C ATOM 1130 C ASN A 77 -7.799 12.803 1.591 1.00 0.00 C ATOM 1131 O ASN A 77 -6.846 13.581 1.523 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.015 12.576 -0.891 1.00 0.00 C ATOM 1133 CG ASN A 77 -7.990 11.625 -2.072 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -8.505 10.509 -1.996 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -7.390 12.064 -3.172 1.00 0.00 N ATOM 0 H ASN A 77 -10.200 11.851 0.329 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.369 11.038 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.865 13.252 -0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.115 13.191 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.342 11.469 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.977 12.996 -3.190 1.00 0.00 H new ATOM 1142 N THR A 78 -8.611 12.745 2.641 1.00 0.00 N ATOM 1143 CA THR A 78 -8.427 13.610 3.799 1.00 0.00 C ATOM 1144 C THR A 78 -8.129 12.796 5.053 1.00 0.00 C ATOM 1145 O THR A 78 -8.707 11.730 5.264 1.00 0.00 O ATOM 1146 CB THR A 78 -9.671 14.483 4.051 1.00 0.00 C ATOM 1147 OG1 THR A 78 -9.812 15.449 3.004 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.570 15.194 5.393 1.00 0.00 C ATOM 0 H THR A 78 -9.404 12.107 2.713 1.00 0.00 H new ATOM 0 HA THR A 78 -7.577 14.256 3.579 1.00 0.00 H new ATOM 0 HB THR A 78 -10.546 13.834 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.606 15.999 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.459 15.804 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.492 14.456 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.686 15.832 5.401 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.224 13.305 5.883 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.851 12.626 7.117 1.00 0.00 C ATOM 1158 C VAL A 79 -6.820 13.597 8.292 1.00 0.00 C ATOM 1159 O VAL A 79 -6.269 14.695 8.207 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.474 11.947 6.990 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.095 11.260 8.293 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.474 10.956 5.836 1.00 0.00 C ATOM 0 H VAL A 79 -6.736 14.186 5.722 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.609 11.864 7.300 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.728 12.714 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.120 10.786 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.053 11.998 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.841 10.503 8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.494 10.485 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.231 10.192 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.698 11.480 4.907 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.424 13.186 9.416 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.478 14.005 10.631 1.00 0.00 C ATOM 1174 C PRO A 80 -6.114 14.143 11.298 1.00 0.00 C ATOM 1175 O PRO A 80 -5.308 13.213 11.282 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.441 13.232 11.536 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.350 11.820 11.070 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.100 11.889 9.589 1.00 0.00 C ATOM 0 HA PRO A 80 -7.796 15.026 10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.157 13.322 12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.458 13.613 11.448 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.543 11.292 11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.271 11.278 11.286 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.477 11.063 9.248 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.030 11.842 9.022 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.863 15.309 11.884 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.597 15.568 12.559 1.00 0.00 C ATOM 1188 C ALA A 81 -4.657 15.138 14.021 1.00 0.00 C ATOM 1189 O ALA A 81 -3.644 15.139 14.720 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.235 17.041 12.455 1.00 0.00 C ATOM 0 H ALA A 81 -6.520 16.089 11.905 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.823 14.980 12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.288 17.220 12.963 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.142 17.320 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.016 17.641 12.922 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.851 14.772 14.477 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.043 14.342 15.857 1.00 0.00 C ATOM 1198 C ARG A 82 -6.286 12.837 15.929 1.00 0.00 C ATOM 1199 O ARG A 82 -7.284 12.386 16.490 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.218 15.091 16.488 1.00 0.00 C ATOM 1201 CG ARG A 82 -6.813 16.371 17.200 1.00 0.00 C ATOM 1202 CD ARG A 82 -7.870 17.453 17.044 1.00 0.00 C ATOM 1203 NE ARG A 82 -8.838 17.434 18.137 1.00 0.00 N ATOM 1204 CZ ARG A 82 -8.608 17.964 19.332 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -7.447 18.553 19.588 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -9.539 17.907 20.276 1.00 0.00 N ATOM 0 H ARG A 82 -6.700 14.765 13.911 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.134 14.572 16.413 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.944 15.332 15.711 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.718 14.433 17.198 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.655 16.165 18.259 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.864 16.727 16.799 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.387 18.429 17.005 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.391 17.317 16.096 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.741 16.989 17.973 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.728 18.599 18.866 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.273 18.959 20.507 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.433 17.455 20.084 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.360 18.315 21.194 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.368 12.066 15.355 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.502 10.621 15.365 1.00 0.00 C ATOM 1222 C GLY A 83 -6.942 10.171 15.219 1.00 0.00 C ATOM 1223 O GLY A 83 -7.551 9.696 16.176 1.00 0.00 O ATOM 0 H GLY A 83 -4.534 12.416 14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.909 10.199 14.554 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.094 10.228 16.296 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.489 10.323 14.017 1.00 0.00 N ATOM 1228 CA GLY A 84 -8.863 9.926 13.772 1.00 0.00 C ATOM 1229 C GLY A 84 -8.963 8.594 13.055 1.00 0.00 C ATOM 1230 O GLY A 84 -8.586 7.557 13.602 1.00 0.00 O ATOM 0 H GLY A 84 -7.005 10.714 13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.395 9.865 14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.359 10.693 13.178 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.472 8.621 11.829 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.622 7.405 11.036 1.00 0.00 C ATOM 1236 C LEU A 85 -8.710 7.437 9.814 1.00 0.00 C ATOM 1237 O LEU A 85 -8.877 8.250 8.905 1.00 0.00 O ATOM 1238 CB LEU A 85 -11.078 7.236 10.596 1.00 0.00 C ATOM 1239 CG LEU A 85 -12.135 7.448 11.680 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.516 8.917 11.774 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.363 6.594 11.401 1.00 0.00 C ATOM 0 H LEU A 85 -9.788 9.471 11.362 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.336 6.557 11.658 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.275 7.935 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.200 6.232 10.189 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.713 7.141 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.269 9.049 12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.633 9.507 12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.919 9.250 10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.105 6.757 12.183 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.786 6.870 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.079 5.542 11.385 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.723 6.529 9.788 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.767 6.430 8.682 1.00 0.00 C ATOM 1255 C PRO A 86 -7.412 5.908 7.402 1.00 0.00 C ATOM 1256 O PRO A 86 -8.476 5.289 7.441 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.726 5.435 9.200 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.457 4.611 10.204 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.465 5.529 10.838 1.00 0.00 C ATOM 0 HA PRO A 86 -6.352 7.402 8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.332 4.818 8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.877 5.949 9.652 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.947 3.761 9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.773 4.208 10.950 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.374 4.996 11.118 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.074 5.990 11.745 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.762 6.162 6.272 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.273 5.716 4.981 1.00 0.00 C ATOM 1269 C ILE A 87 -6.732 4.336 4.623 1.00 0.00 C ATOM 1270 O ILE A 87 -5.610 3.982 4.988 1.00 0.00 O ATOM 1271 CB ILE A 87 -6.908 6.705 3.859 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.477 8.092 4.166 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.423 6.200 2.519 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -6.782 9.209 3.421 1.00 0.00 C ATOM 0 H ILE A 87 -5.881 6.674 6.223 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.358 5.666 5.071 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.822 6.783 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.538 8.104 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.400 8.278 5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.157 6.910 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.974 5.232 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.507 6.096 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.238 10.163 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.726 9.224 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.881 9.047 2.348 1.00 0.00 H new ATOM 1286 N THR A 88 -7.536 3.559 3.904 1.00 0.00 N ATOM 1287 CA THR A 88 -7.138 2.218 3.495 1.00 0.00 C ATOM 1288 C THR A 88 -7.553 1.936 2.056 1.00 0.00 C ATOM 1289 O THR A 88 -8.608 2.384 1.606 1.00 0.00 O ATOM 1290 CB THR A 88 -7.753 1.145 4.414 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.173 1.312 4.480 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.161 1.227 5.813 1.00 0.00 C ATOM 0 H THR A 88 -8.467 3.836 3.593 1.00 0.00 H new ATOM 0 HA THR A 88 -6.052 2.173 3.572 1.00 0.00 H new ATOM 0 HB THR A 88 -7.523 0.165 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.556 0.625 5.065 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.610 0.460 6.444 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.084 1.070 5.762 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.364 2.210 6.237 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.718 1.191 1.339 1.00 0.00 N ATOM 1301 CA GLN A 89 -7.000 0.850 -0.051 1.00 0.00 C ATOM 1302 C GLN A 89 -6.736 -0.629 -0.313 1.00 0.00 C ATOM 1303 O GLN A 89 -5.901 -1.248 0.348 1.00 0.00 O ATOM 1304 CB GLN A 89 -6.149 1.707 -0.991 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.399 1.426 -2.463 1.00 0.00 C ATOM 1306 CD GLN A 89 -6.147 2.637 -3.340 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -5.032 2.852 -3.815 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -7.185 3.436 -3.559 1.00 0.00 N ATOM 0 H GLN A 89 -5.841 0.812 1.697 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.054 1.051 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.350 2.760 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.095 1.536 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.756 0.608 -2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.429 1.094 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.092 3.219 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.076 4.266 -4.141 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.452 -1.190 -1.280 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.296 -2.598 -1.630 1.00 0.00 C ATOM 1319 C LEU A 90 -6.619 -2.749 -2.988 1.00 0.00 C ATOM 1320 O LEU A 90 -6.840 -1.949 -3.896 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.658 -3.294 -1.646 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.775 -4.519 -2.552 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -7.898 -5.650 -2.037 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.225 -4.971 -2.655 1.00 0.00 C ATOM 0 H LEU A 90 -8.147 -0.692 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.664 -3.067 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.901 -3.596 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.411 -2.568 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.430 -4.243 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.994 -6.514 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.858 -5.324 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.212 -5.924 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.289 -5.844 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.597 -5.228 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.829 -4.165 -3.071 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.795 -3.783 -3.120 1.00 0.00 N ATOM 1337 CA PHE A 91 -5.086 -4.042 -4.368 1.00 0.00 C ATOM 1338 C PHE A 91 -5.080 -5.533 -4.692 1.00 0.00 C ATOM 1339 O PHE A 91 -4.654 -6.354 -3.879 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.649 -3.522 -4.280 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.559 -2.064 -3.931 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.644 -1.647 -2.612 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.390 -1.110 -4.922 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.563 -0.306 -2.289 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.308 0.233 -4.604 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.393 0.635 -3.286 1.00 0.00 C ATOM 0 H PHE A 91 -5.602 -4.456 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.607 -3.517 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.107 -4.100 -3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.151 -3.690 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.775 -2.378 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.322 -1.419 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.633 0.006 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.178 0.967 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.327 1.683 -3.035 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.557 -5.875 -5.884 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.609 -7.266 -6.316 1.00 0.00 C ATOM 1358 C ARG A 92 -4.419 -7.603 -7.211 1.00 0.00 C ATOM 1359 O ARG A 92 -4.383 -7.221 -8.381 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.916 -7.543 -7.061 1.00 0.00 C ATOM 1361 CG ARG A 92 -8.078 -7.888 -6.145 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.366 -8.084 -6.928 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.237 -9.128 -7.941 1.00 0.00 N ATOM 1364 CZ ARG A 92 -10.004 -9.200 -9.024 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -10.948 -8.293 -9.233 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -9.825 -10.180 -9.901 1.00 0.00 N ATOM 0 H ARG A 92 -5.913 -5.207 -6.568 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.564 -7.897 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.179 -6.667 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.759 -8.365 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.847 -8.797 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.214 -7.092 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.172 -8.343 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.645 -7.146 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.519 -9.841 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.087 -7.538 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.535 -8.351 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.098 -10.878 -9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.414 -10.235 -10.732 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.449 -8.318 -6.652 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.259 -8.706 -7.400 1.00 0.00 C ATOM 1382 C ILE A 93 -2.294 -10.188 -7.759 1.00 0.00 C ATOM 1383 O ILE A 93 -2.841 -11.005 -7.016 1.00 0.00 O ATOM 1384 CB ILE A 93 -0.974 -8.412 -6.604 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.824 -6.907 -6.373 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.240 -8.965 -7.336 1.00 0.00 C ATOM 1387 CD1 ILE A 93 -0.018 -6.562 -5.140 1.00 0.00 C ATOM 0 H ILE A 93 -3.463 -8.640 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.254 -8.113 -8.315 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.044 -8.904 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.348 -6.459 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.815 -6.460 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.141 -8.750 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.134 -10.043 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.316 -8.499 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.047 -5.479 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.505 -6.980 -4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.985 -6.979 -5.233 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.707 -10.528 -8.900 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.668 -11.913 -9.358 1.00 0.00 C ATOM 1401 C LEU A 94 -0.247 -12.464 -9.307 1.00 0.00 C ATOM 1402 O LEU A 94 0.675 -11.883 -9.879 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.217 -12.016 -10.782 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.726 -12.228 -10.906 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.116 -13.606 -10.395 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.481 -11.144 -10.151 1.00 0.00 C ATOM 0 H LEU A 94 -1.251 -9.864 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.292 -12.508 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.953 -11.105 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.712 -12.840 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.996 -12.164 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.194 -13.738 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.603 -14.370 -10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.831 -13.699 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.554 -11.311 -10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.205 -11.175 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.226 -10.168 -10.564 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.078 -13.590 -8.622 1.00 0.00 N ATOM 1419 CA ASN A 95 1.231 -14.220 -8.498 1.00 0.00 C ATOM 1420 C ASN A 95 1.161 -15.697 -8.876 1.00 0.00 C ATOM 1421 O ASN A 95 1.704 -16.565 -8.192 1.00 0.00 O ATOM 1422 CB ASN A 95 1.759 -14.073 -7.069 1.00 0.00 C ATOM 1423 CG ASN A 95 3.078 -14.792 -6.863 1.00 0.00 C ATOM 1424 OD1 ASN A 95 4.168 -14.160 -7.279 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 3.115 -15.904 -6.335 1.00 0.00 N flip ATOM 0 H ASN A 95 -0.831 -14.085 -8.144 1.00 0.00 H new ATOM 0 HA ASN A 95 1.914 -13.718 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.885 -13.015 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.021 -14.466 -6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.251 -16.353 -6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.009 -16.376 -6.202 1.00 0.00 H new ATOM 1432 N PRO A 96 0.477 -15.991 -9.992 1.00 0.00 N ATOM 1433 CA PRO A 96 0.321 -17.361 -10.487 1.00 0.00 C ATOM 1434 C PRO A 96 1.629 -17.938 -11.019 1.00 0.00 C ATOM 1435 O PRO A 96 1.828 -19.152 -11.020 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.699 -17.215 -11.619 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.556 -15.805 -12.078 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.196 -15.007 -10.856 1.00 0.00 C ATOM 0 HA PRO A 96 0.008 -18.046 -9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.496 -17.917 -12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.711 -17.416 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.217 -15.720 -12.842 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.484 -15.443 -12.521 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.460 -14.172 -11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.080 -14.588 -10.375 1.00 0.00 H new ATOM 1446 N ASN A 97 2.517 -17.059 -11.471 1.00 0.00 N ATOM 1447 CA ASN A 97 3.806 -17.481 -12.007 1.00 0.00 C ATOM 1448 C ASN A 97 4.752 -17.895 -10.884 1.00 0.00 C ATOM 1449 O ASN A 97 5.886 -18.306 -11.132 1.00 0.00 O ATOM 1450 CB ASN A 97 4.435 -16.354 -12.829 1.00 0.00 C ATOM 1451 CG ASN A 97 3.871 -16.281 -14.235 1.00 0.00 C ATOM 1452 OD1 ASN A 97 2.552 -16.175 -14.339 1.00 0.00 O flip ATOM 1453 ND2 ASN A 97 4.614 -16.320 -15.216 1.00 0.00 N flip ATOM 0 H ASN A 97 2.368 -16.050 -11.477 1.00 0.00 H new ATOM 0 HA ASN A 97 3.638 -18.342 -12.654 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.269 -15.403 -12.324 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.514 -16.503 -12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.623 -16.402 -15.089 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.221 -16.270 -16.156 1.00 0.00 H new ATOM 1460 N LYS A 98 4.279 -17.784 -9.647 1.00 0.00 N ATOM 1461 CA LYS A 98 5.080 -18.148 -8.485 1.00 0.00 C ATOM 1462 C LYS A 98 6.414 -17.409 -8.491 1.00 0.00 C ATOM 1463 O LYS A 98 7.442 -17.960 -8.098 1.00 0.00 O ATOM 1464 CB LYS A 98 5.322 -19.659 -8.459 1.00 0.00 C ATOM 1465 CG LYS A 98 4.108 -20.462 -8.026 1.00 0.00 C ATOM 1466 CD LYS A 98 4.480 -21.895 -7.685 1.00 0.00 C ATOM 1467 CE LYS A 98 3.258 -22.711 -7.294 1.00 0.00 C ATOM 1468 NZ LYS A 98 3.534 -24.174 -7.324 1.00 0.00 N ATOM 0 H LYS A 98 3.343 -17.444 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 98 4.529 -17.859 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.628 -19.987 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.150 -19.874 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.648 -19.988 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.365 -20.458 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.969 -22.359 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.199 -21.900 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.934 -22.423 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.437 -22.483 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.676 -24.695 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.818 -24.454 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.301 -24.396 -6.657 1.00 0.00 H new ATOM 1482 N ALA A 99 6.390 -16.157 -8.937 1.00 0.00 N ATOM 1483 CA ALA A 99 7.597 -15.342 -8.991 1.00 0.00 C ATOM 1484 C ALA A 99 7.545 -14.216 -7.963 1.00 0.00 C ATOM 1485 O ALA A 99 6.848 -13.216 -8.137 1.00 0.00 O ATOM 1486 CB ALA A 99 7.789 -14.774 -10.389 1.00 0.00 C ATOM 0 H ALA A 99 5.548 -15.685 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 99 8.447 -15.980 -8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.694 -14.168 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.880 -15.591 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.931 -14.156 -10.652 1.00 0.00 H new ATOM 1492 N PRO A 100 8.298 -14.381 -6.866 1.00 0.00 N ATOM 1493 CA PRO A 100 8.354 -13.388 -5.788 1.00 0.00 C ATOM 1494 C PRO A 100 9.075 -12.113 -6.212 1.00 0.00 C ATOM 1495 O PRO A 100 10.302 -12.027 -6.137 1.00 0.00 O ATOM 1496 CB PRO A 100 9.138 -14.105 -4.686 1.00 0.00 C ATOM 1497 CG PRO A 100 9.967 -15.112 -5.405 1.00 0.00 C ATOM 1498 CD PRO A 100 9.153 -15.548 -6.592 1.00 0.00 C ATOM 0 HA PRO A 100 7.360 -13.063 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.760 -13.408 -4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.469 -14.582 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.917 -14.681 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.200 -15.959 -4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.786 -15.792 -7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.562 -16.436 -6.369 1.00 0.00 H new ATOM 1506 N LEU A 101 8.308 -11.124 -6.656 1.00 0.00 N ATOM 1507 CA LEU A 101 8.874 -9.852 -7.091 1.00 0.00 C ATOM 1508 C LEU A 101 8.695 -8.782 -6.019 1.00 0.00 C ATOM 1509 O LEU A 101 8.209 -9.062 -4.923 1.00 0.00 O ATOM 1510 CB LEU A 101 8.216 -9.399 -8.396 1.00 0.00 C ATOM 1511 CG LEU A 101 8.889 -9.869 -9.685 1.00 0.00 C ATOM 1512 CD1 LEU A 101 10.021 -8.929 -10.071 1.00 0.00 C ATOM 1513 CD2 LEU A 101 9.406 -11.292 -9.529 1.00 0.00 C ATOM 0 H LEU A 101 7.292 -11.178 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 101 9.941 -9.995 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.184 -9.750 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.183 -8.310 -8.404 1.00 0.00 H new ATOM 0 HG LEU A 101 8.147 -9.858 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.488 -9.280 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.624 -7.926 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.763 -8.907 -9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.882 -11.610 -10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.133 -11.328 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.574 -11.958 -9.301 1.00 0.00 H new ATOM 1525 N ARG A 102 9.090 -7.555 -6.344 1.00 0.00 N ATOM 1526 CA ARG A 102 8.972 -6.442 -5.410 1.00 0.00 C ATOM 1527 C ARG A 102 7.829 -5.514 -5.810 1.00 0.00 C ATOM 1528 O ARG A 102 7.318 -5.588 -6.928 1.00 0.00 O ATOM 1529 CB ARG A 102 10.284 -5.657 -5.351 1.00 0.00 C ATOM 1530 CG ARG A 102 11.327 -6.281 -4.439 1.00 0.00 C ATOM 1531 CD ARG A 102 12.060 -7.421 -5.129 1.00 0.00 C ATOM 1532 NE ARG A 102 12.836 -8.222 -4.186 1.00 0.00 N ATOM 1533 CZ ARG A 102 13.727 -9.135 -4.557 1.00 0.00 C ATOM 1534 NH1 ARG A 102 13.953 -9.361 -5.844 1.00 0.00 N ATOM 1535 NH2 ARG A 102 14.394 -9.824 -3.640 1.00 0.00 N ATOM 0 H ARG A 102 9.494 -7.307 -7.247 1.00 0.00 H new ATOM 0 HA ARG A 102 8.756 -6.851 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.695 -5.577 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.076 -4.643 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 102 12.044 -5.520 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.846 -6.651 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.339 -8.059 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.724 -7.016 -5.893 1.00 0.00 H new ATOM 0 HE ARG A 102 12.686 -8.072 -3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.442 -8.833 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.638 -10.063 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.223 -9.653 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.078 -10.525 -3.926 1.00 0.00 H new ATOM 1549 N LEU A 103 7.432 -4.642 -4.890 1.00 0.00 N ATOM 1550 CA LEU A 103 6.348 -3.700 -5.146 1.00 0.00 C ATOM 1551 C LEU A 103 6.783 -2.272 -4.832 1.00 0.00 C ATOM 1552 O LEU A 103 7.448 -2.020 -3.827 1.00 0.00 O ATOM 1553 CB LEU A 103 5.120 -4.066 -4.312 1.00 0.00 C ATOM 1554 CG LEU A 103 4.087 -2.956 -4.115 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.305 -2.720 -5.397 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.146 -3.300 -2.969 1.00 0.00 C ATOM 0 H LEU A 103 7.844 -4.568 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 103 6.091 -3.758 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.626 -4.915 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.458 -4.398 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 103 4.615 -2.036 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.575 -1.927 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.990 -2.427 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.788 -3.636 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.418 -2.499 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.626 -4.231 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.720 -3.416 -2.050 1.00 0.00 H new ATOM 1568 N LYS A 104 6.401 -1.339 -5.697 1.00 0.00 N ATOM 1569 CA LYS A 104 6.748 0.065 -5.512 1.00 0.00 C ATOM 1570 C LYS A 104 5.579 0.839 -4.910 1.00 0.00 C ATOM 1571 O LYS A 104 4.422 0.612 -5.265 1.00 0.00 O ATOM 1572 CB LYS A 104 7.154 0.692 -6.847 1.00 0.00 C ATOM 1573 CG LYS A 104 7.653 2.122 -6.722 1.00 0.00 C ATOM 1574 CD LYS A 104 8.333 2.589 -7.997 1.00 0.00 C ATOM 1575 CE LYS A 104 7.320 3.069 -9.025 1.00 0.00 C ATOM 1576 NZ LYS A 104 7.884 3.065 -10.404 1.00 0.00 N ATOM 0 H LYS A 104 5.850 -1.530 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 104 7.590 0.117 -4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.934 0.082 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.299 0.672 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.816 2.782 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.352 2.193 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.028 3.396 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.921 1.773 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.438 2.430 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.993 4.077 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.163 3.399 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.711 3.695 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.173 2.099 -10.658 1.00 0.00 H new ATOM 1590 N LEU A 105 5.889 1.755 -3.998 1.00 0.00 N ATOM 1591 CA LEU A 105 4.864 2.564 -3.348 1.00 0.00 C ATOM 1592 C LEU A 105 5.219 4.046 -3.411 1.00 0.00 C ATOM 1593 O LEU A 105 6.272 4.463 -2.929 1.00 0.00 O ATOM 1594 CB LEU A 105 4.693 2.131 -1.891 1.00 0.00 C ATOM 1595 CG LEU A 105 3.922 0.830 -1.663 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.048 0.381 -0.216 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.459 1.005 -2.044 1.00 0.00 C ATOM 0 H LEU A 105 6.841 1.956 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 105 3.924 2.411 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.682 2.026 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.184 2.931 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 105 4.353 0.057 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.493 -0.546 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.098 0.216 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.643 1.151 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.925 0.070 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.015 1.791 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.387 1.279 -3.096 1.00 0.00 H new ATOM 1609 N ARG A 106 4.333 4.837 -4.007 1.00 0.00 N ATOM 1610 CA ARG A 106 4.552 6.272 -4.132 1.00 0.00 C ATOM 1611 C ARG A 106 3.483 7.054 -3.374 1.00 0.00 C ATOM 1612 O ARG A 106 2.346 7.177 -3.832 1.00 0.00 O ATOM 1613 CB ARG A 106 4.550 6.683 -5.605 1.00 0.00 C ATOM 1614 CG ARG A 106 4.296 8.166 -5.824 1.00 0.00 C ATOM 1615 CD ARG A 106 4.871 8.640 -7.149 1.00 0.00 C ATOM 1616 NE ARG A 106 4.016 8.281 -8.277 1.00 0.00 N ATOM 1617 CZ ARG A 106 4.404 8.351 -9.545 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.627 8.764 -9.846 1.00 0.00 N ATOM 1619 NH2 ARG A 106 3.568 8.006 -10.516 1.00 0.00 N ATOM 0 H ARG A 106 3.456 4.508 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 106 5.524 6.504 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.510 6.418 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.787 6.111 -6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.224 8.360 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.740 8.737 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.000 9.722 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.860 8.205 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 106 3.069 7.959 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.273 9.029 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.922 8.817 -10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.626 7.687 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.867 8.060 -11.490 1.00 0.00 H new ATOM 1633 N LEU A 107 3.854 7.579 -2.211 1.00 0.00 N ATOM 1634 CA LEU A 107 2.928 8.348 -1.388 1.00 0.00 C ATOM 1635 C LEU A 107 3.139 9.846 -1.585 1.00 0.00 C ATOM 1636 O LEU A 107 4.234 10.364 -1.364 1.00 0.00 O ATOM 1637 CB LEU A 107 3.104 7.986 0.087 1.00 0.00 C ATOM 1638 CG LEU A 107 3.171 6.493 0.409 1.00 0.00 C ATOM 1639 CD1 LEU A 107 3.571 6.277 1.860 1.00 0.00 C ATOM 1640 CD2 LEU A 107 1.835 5.824 0.117 1.00 0.00 C ATOM 0 H LEU A 107 4.790 7.486 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 107 1.913 8.099 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.018 8.457 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.277 8.421 0.648 1.00 0.00 H new ATOM 0 HG LEU A 107 3.930 6.038 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.613 5.208 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.551 6.721 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.836 6.747 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.901 4.762 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.057 6.283 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.589 5.948 -0.938 1.00 0.00 H new ATOM 1652 N THR A 108 2.083 10.538 -2.000 1.00 0.00 N ATOM 1653 CA THR A 108 2.152 11.977 -2.225 1.00 0.00 C ATOM 1654 C THR A 108 0.958 12.689 -1.601 1.00 0.00 C ATOM 1655 O THR A 108 -0.186 12.471 -2.001 1.00 0.00 O ATOM 1656 CB THR A 108 2.204 12.308 -3.729 1.00 0.00 C ATOM 1657 OG1 THR A 108 0.974 11.928 -4.357 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.365 11.591 -4.401 1.00 0.00 C ATOM 0 H THR A 108 1.169 10.125 -2.187 1.00 0.00 H new ATOM 0 HA THR A 108 3.069 12.328 -1.751 1.00 0.00 H new ATOM 0 HB THR A 108 2.350 13.383 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.228 12.101 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.381 11.840 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.302 11.904 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.245 10.514 -4.283 1.00 0.00 H new ATOM 1666 N TYR A 109 1.231 13.541 -0.619 1.00 0.00 N ATOM 1667 CA TYR A 109 0.178 14.285 0.062 1.00 0.00 C ATOM 1668 C TYR A 109 0.699 15.627 0.568 1.00 0.00 C ATOM 1669 O TYR A 109 1.906 15.865 0.600 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.379 13.469 1.230 1.00 0.00 C ATOM 1671 CG TYR A 109 0.624 13.234 2.337 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.484 12.143 2.302 1.00 0.00 C ATOM 1673 CD2 TYR A 109 0.712 14.103 3.417 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.401 11.924 3.312 1.00 0.00 C ATOM 1675 CE2 TYR A 109 1.627 13.893 4.431 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.469 12.802 4.373 1.00 0.00 C ATOM 1677 OH TYR A 109 3.381 12.588 5.381 1.00 0.00 O ATOM 0 H TYR A 109 2.172 13.734 -0.277 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.621 14.473 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.247 13.984 1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.727 12.506 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 109 1.435 11.455 1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.054 14.958 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.061 11.070 3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.683 14.579 5.264 1.00 0.00 H new ATOM 0 HH TYR A 109 3.300 13.298 6.052 1.00 0.00 H new ATOM 1687 N ASP A 110 -0.222 16.500 0.963 1.00 0.00 N ATOM 1688 CA ASP A 110 0.143 17.818 1.469 1.00 0.00 C ATOM 1689 C ASP A 110 0.157 17.829 2.995 1.00 0.00 C ATOM 1690 O ASP A 110 -0.737 17.278 3.638 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.832 18.876 0.948 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.230 20.267 0.947 1.00 0.00 C ATOM 1693 OD1 ASP A 110 0.633 20.540 0.087 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -0.623 21.083 1.806 1.00 0.00 O ATOM 0 H ASP A 110 -1.226 16.319 0.942 1.00 0.00 H new ATOM 0 HA ASP A 110 1.146 18.052 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.139 18.615 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.731 18.873 1.565 1.00 0.00 H new ATOM 1699 N HIS A 111 1.178 18.460 3.567 1.00 0.00 N ATOM 1700 CA HIS A 111 1.309 18.542 5.018 1.00 0.00 C ATOM 1701 C HIS A 111 1.871 19.897 5.436 1.00 0.00 C ATOM 1702 O HIS A 111 2.627 20.524 4.693 1.00 0.00 O ATOM 1703 CB HIS A 111 2.211 17.421 5.534 1.00 0.00 C ATOM 1704 CG HIS A 111 1.877 16.976 6.925 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.657 16.091 7.639 1.00 0.00 N ATOM 1706 CD2 HIS A 111 0.842 17.301 7.734 1.00 0.00 C ATOM 1707 CE1 HIS A 111 2.114 15.889 8.827 1.00 0.00 C ATOM 1708 NE2 HIS A 111 1.012 16.612 8.909 1.00 0.00 N ATOM 0 H HIS A 111 1.926 18.921 3.049 1.00 0.00 H new ATOM 0 HA HIS A 111 0.317 18.429 5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.137 16.567 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.247 17.758 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.033 17.977 7.499 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.505 15.243 9.599 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.388 16.652 9.715 1.00 0.00 H new ATOM 1716 N PHE A 112 1.498 20.344 6.631 1.00 0.00 N ATOM 1717 CA PHE A 112 1.963 21.626 7.147 1.00 0.00 C ATOM 1718 C PHE A 112 2.130 22.639 6.019 1.00 0.00 C ATOM 1719 O PHE A 112 3.032 23.476 6.048 1.00 0.00 O ATOM 1720 CB PHE A 112 3.290 21.449 7.889 1.00 0.00 C ATOM 1721 CG PHE A 112 3.134 20.875 9.268 1.00 0.00 C ATOM 1722 CD1 PHE A 112 3.140 19.503 9.466 1.00 0.00 C ATOM 1723 CD2 PHE A 112 2.981 21.706 10.366 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.997 18.971 10.734 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.839 21.180 11.635 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.845 19.811 11.820 1.00 0.00 C ATOM 0 H PHE A 112 0.875 19.837 7.260 1.00 0.00 H new ATOM 0 HA PHE A 112 1.213 22.003 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.940 20.798 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.789 22.416 7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.258 18.842 8.620 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.973 22.777 10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.004 17.900 10.875 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.723 21.839 12.483 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.731 19.398 12.812 1.00 0.00 H new ATOM 1736 N HIS A 113 1.253 22.557 5.023 1.00 0.00 N ATOM 1737 CA HIS A 113 1.301 23.466 3.884 1.00 0.00 C ATOM 1738 C HIS A 113 2.592 23.277 3.093 1.00 0.00 C ATOM 1739 O HIS A 113 3.280 24.245 2.770 1.00 0.00 O ATOM 1740 CB HIS A 113 1.187 24.916 4.356 1.00 0.00 C ATOM 1741 CG HIS A 113 -0.224 25.414 4.424 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -0.702 26.432 3.627 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -1.263 25.027 5.200 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -1.973 26.651 3.910 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -2.339 25.811 4.862 1.00 0.00 N ATOM 0 H HIS A 113 0.500 21.870 4.982 1.00 0.00 H new ATOM 0 HA HIS A 113 0.458 23.237 3.232 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.643 25.006 5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.757 25.555 3.682 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -1.249 24.247 5.946 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -2.606 27.391 3.443 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.269 25.754 5.278 1.00 0.00 H new ATOM 1753 N GLN A 114 2.913 22.025 2.785 1.00 0.00 N ATOM 1754 CA GLN A 114 4.122 21.710 2.033 1.00 0.00 C ATOM 1755 C GLN A 114 3.962 20.400 1.267 1.00 0.00 C ATOM 1756 O GLN A 114 3.220 19.512 1.686 1.00 0.00 O ATOM 1757 CB GLN A 114 5.325 21.620 2.974 1.00 0.00 C ATOM 1758 CG GLN A 114 5.350 20.350 3.810 1.00 0.00 C ATOM 1759 CD GLN A 114 6.758 19.897 4.141 1.00 0.00 C ATOM 1760 OE1 GLN A 114 7.735 20.441 3.625 1.00 0.00 O ATOM 1761 NE2 GLN A 114 6.870 18.896 5.006 1.00 0.00 N ATOM 0 H GLN A 114 2.353 21.213 3.044 1.00 0.00 H new ATOM 0 HA GLN A 114 4.291 22.512 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.241 21.676 2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.321 22.483 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.799 20.518 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.834 19.555 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 114 6.033 18.475 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 114 7.793 18.549 5.267 1.00 0.00 H new ATOM 1770 N SER A 115 4.662 20.288 0.143 1.00 0.00 N ATOM 1771 CA SER A 115 4.594 19.089 -0.683 1.00 0.00 C ATOM 1772 C SER A 115 5.405 17.955 -0.064 1.00 0.00 C ATOM 1773 O SER A 115 6.632 18.024 0.013 1.00 0.00 O ATOM 1774 CB SER A 115 5.106 19.386 -2.094 1.00 0.00 C ATOM 1775 OG SER A 115 6.443 19.855 -2.063 1.00 0.00 O ATOM 0 H SER A 115 5.283 21.013 -0.216 1.00 0.00 H new ATOM 0 HA SER A 115 3.551 18.777 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.048 18.484 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.467 20.131 -2.567 1.00 0.00 H new ATOM 0 HG SER A 115 6.940 19.380 -1.365 1.00 0.00 H new ATOM 1781 N VAL A 116 4.710 16.911 0.378 1.00 0.00 N ATOM 1782 CA VAL A 116 5.364 15.761 0.990 1.00 0.00 C ATOM 1783 C VAL A 116 5.137 14.497 0.168 1.00 0.00 C ATOM 1784 O VAL A 116 4.042 13.936 0.166 1.00 0.00 O ATOM 1785 CB VAL A 116 4.857 15.525 2.425 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.428 14.232 2.988 1.00 0.00 C ATOM 1787 CG2 VAL A 116 5.211 16.706 3.316 1.00 0.00 C ATOM 0 H VAL A 116 3.694 16.839 0.323 1.00 0.00 H new ATOM 0 HA VAL A 116 6.431 15.983 1.021 1.00 0.00 H new ATOM 0 HB VAL A 116 3.771 15.433 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.059 14.082 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.119 13.395 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.516 14.291 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.845 16.522 4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.293 16.833 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.748 17.611 2.922 1.00 0.00 H new ATOM 1797 N GLN A 117 6.180 14.055 -0.527 1.00 0.00 N ATOM 1798 CA GLN A 117 6.093 12.857 -1.354 1.00 0.00 C ATOM 1799 C GLN A 117 7.299 11.951 -1.127 1.00 0.00 C ATOM 1800 O GLN A 117 8.443 12.399 -1.186 1.00 0.00 O ATOM 1801 CB GLN A 117 5.997 13.237 -2.832 1.00 0.00 C ATOM 1802 CG GLN A 117 7.349 13.378 -3.513 1.00 0.00 C ATOM 1803 CD GLN A 117 8.132 14.577 -3.015 1.00 0.00 C ATOM 1804 OE1 GLN A 117 8.340 14.740 -1.813 1.00 0.00 O ATOM 1805 NE2 GLN A 117 8.570 15.423 -3.939 1.00 0.00 N ATOM 0 H GLN A 117 7.094 14.508 -0.534 1.00 0.00 H new ATOM 0 HA GLN A 117 5.193 12.313 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.413 12.480 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.454 14.178 -2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.932 12.473 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.202 13.467 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.374 15.248 -4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.103 16.248 -3.664 1.00 0.00 H new ATOM 1814 N GLU A 118 7.033 10.675 -0.867 1.00 0.00 N ATOM 1815 CA GLU A 118 8.097 9.707 -0.630 1.00 0.00 C ATOM 1816 C GLU A 118 7.927 8.481 -1.523 1.00 0.00 C ATOM 1817 O GLU A 118 6.946 7.747 -1.408 1.00 0.00 O ATOM 1818 CB GLU A 118 8.112 9.281 0.840 1.00 0.00 C ATOM 1819 CG GLU A 118 8.295 10.439 1.807 1.00 0.00 C ATOM 1820 CD GLU A 118 9.754 10.724 2.107 1.00 0.00 C ATOM 1821 OE1 GLU A 118 10.517 10.976 1.152 1.00 0.00 O ATOM 1822 OE2 GLU A 118 10.131 10.694 3.297 1.00 0.00 O ATOM 0 H GLU A 118 6.091 10.288 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 118 9.047 10.184 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.177 8.770 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.916 8.561 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.833 11.333 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 118 7.773 10.216 2.738 1.00 0.00 H new ATOM 1829 N ILE A 119 8.890 8.268 -2.414 1.00 0.00 N ATOM 1830 CA ILE A 119 8.847 7.132 -3.327 1.00 0.00 C ATOM 1831 C ILE A 119 9.858 6.064 -2.923 1.00 0.00 C ATOM 1832 O ILE A 119 11.068 6.293 -2.962 1.00 0.00 O ATOM 1833 CB ILE A 119 9.127 7.566 -4.778 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.111 8.619 -5.224 1.00 0.00 C ATOM 1835 CG2 ILE A 119 9.092 6.361 -5.707 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.413 10.008 -4.705 1.00 0.00 C ATOM 0 H ILE A 119 9.709 8.867 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 119 7.841 6.717 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 119 10.123 8.007 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.082 8.645 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.119 8.321 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.292 6.683 -6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.851 5.642 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.108 5.894 -5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.652 10.703 -5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.414 9.997 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.391 10.326 -5.065 1.00 0.00 H new ATOM 1848 N PHE A 120 9.355 4.897 -2.538 1.00 0.00 N ATOM 1849 CA PHE A 120 10.214 3.792 -2.128 1.00 0.00 C ATOM 1850 C PHE A 120 9.607 2.452 -2.533 1.00 0.00 C ATOM 1851 O PHE A 120 8.396 2.338 -2.715 1.00 0.00 O ATOM 1852 CB PHE A 120 10.438 3.826 -0.614 1.00 0.00 C ATOM 1853 CG PHE A 120 9.163 3.819 0.180 1.00 0.00 C ATOM 1854 CD1 PHE A 120 8.381 2.677 0.250 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.747 4.954 0.857 1.00 0.00 C ATOM 1856 CE1 PHE A 120 7.208 2.667 0.980 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.575 4.949 1.590 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.804 3.805 1.651 1.00 0.00 C ATOM 0 H PHE A 120 8.357 4.691 -2.501 1.00 0.00 H new ATOM 0 HA PHE A 120 11.173 3.904 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.042 2.966 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 120 11.011 4.718 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.692 1.784 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.345 5.852 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.608 1.770 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.262 5.840 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.887 3.800 2.222 1.00 0.00 H new ATOM 1868 N GLU A 121 10.459 1.441 -2.672 1.00 0.00 N ATOM 1869 CA GLU A 121 10.007 0.109 -3.058 1.00 0.00 C ATOM 1870 C GLU A 121 10.294 -0.903 -1.953 1.00 0.00 C ATOM 1871 O GLU A 121 11.445 -1.107 -1.565 1.00 0.00 O ATOM 1872 CB GLU A 121 10.689 -0.329 -4.356 1.00 0.00 C ATOM 1873 CG GLU A 121 10.415 0.596 -5.529 1.00 0.00 C ATOM 1874 CD GLU A 121 11.444 0.457 -6.634 1.00 0.00 C ATOM 1875 OE1 GLU A 121 11.834 -0.689 -6.942 1.00 0.00 O ATOM 1876 OE2 GLU A 121 11.860 1.495 -7.191 1.00 0.00 O ATOM 0 H GLU A 121 11.465 1.519 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 121 8.930 0.151 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.765 -0.384 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.354 -1.334 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.424 0.383 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.401 1.628 -5.178 1.00 0.00 H new ATOM 1883 N VAL A 122 9.239 -1.536 -1.449 1.00 0.00 N ATOM 1884 CA VAL A 122 9.376 -2.527 -0.389 1.00 0.00 C ATOM 1885 C VAL A 122 10.155 -3.745 -0.873 1.00 0.00 C ATOM 1886 O VAL A 122 9.902 -4.265 -1.959 1.00 0.00 O ATOM 1887 CB VAL A 122 8.001 -2.986 0.132 1.00 0.00 C ATOM 1888 CG1 VAL A 122 8.155 -3.774 1.424 1.00 0.00 C ATOM 1889 CG2 VAL A 122 7.083 -1.790 0.334 1.00 0.00 C ATOM 0 H VAL A 122 8.280 -1.380 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 122 9.923 -2.048 0.423 1.00 0.00 H new ATOM 0 HB VAL A 122 7.549 -3.641 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.173 -4.090 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.775 -4.652 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.627 -3.146 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.116 -2.132 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.527 -1.109 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.947 -1.271 -0.615 1.00 0.00 H new ATOM 1899 N ASN A 123 11.105 -4.195 -0.059 1.00 0.00 N ATOM 1900 CA ASN A 123 11.922 -5.353 -0.405 1.00 0.00 C ATOM 1901 C ASN A 123 11.908 -6.383 0.720 1.00 0.00 C ATOM 1902 O ASN A 123 12.418 -7.492 0.566 1.00 0.00 O ATOM 1903 CB ASN A 123 13.360 -4.919 -0.697 1.00 0.00 C ATOM 1904 CG ASN A 123 14.045 -4.331 0.521 1.00 0.00 C ATOM 1905 OD1 ASN A 123 14.767 -5.025 1.237 1.00 0.00 O ATOM 1906 ND2 ASN A 123 13.821 -3.044 0.762 1.00 0.00 N ATOM 0 H ASN A 123 11.328 -3.776 0.844 1.00 0.00 H new ATOM 0 HA ASN A 123 11.499 -5.812 -1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 123 13.930 -5.777 -1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.358 -4.182 -1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.255 -2.593 1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 123 13.215 -2.507 0.142 1.00 0.00 H new ATOM 1913 N ASN A 124 11.320 -6.009 1.852 1.00 0.00 N ATOM 1914 CA ASN A 124 11.240 -6.900 3.003 1.00 0.00 C ATOM 1915 C ASN A 124 9.913 -7.653 3.016 1.00 0.00 C ATOM 1916 O ASN A 124 9.323 -7.876 4.074 1.00 0.00 O ATOM 1917 CB ASN A 124 11.402 -6.107 4.301 1.00 0.00 C ATOM 1918 CG ASN A 124 12.321 -4.912 4.137 1.00 0.00 C ATOM 1919 OD1 ASN A 124 13.423 -5.031 3.600 1.00 0.00 O ATOM 1920 ND2 ASN A 124 11.872 -3.752 4.601 1.00 0.00 N ATOM 0 H ASN A 124 10.892 -5.095 1.996 1.00 0.00 H new ATOM 0 HA ASN A 124 12.049 -7.626 2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.424 -5.766 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.797 -6.762 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.447 -2.913 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.952 -3.699 5.039 1.00 0.00 H new ATOM 1927 N LEU A 125 9.448 -8.043 1.834 1.00 0.00 N ATOM 1928 CA LEU A 125 8.191 -8.772 1.709 1.00 0.00 C ATOM 1929 C LEU A 125 8.309 -10.169 2.311 1.00 0.00 C ATOM 1930 O LEU A 125 9.347 -10.825 2.220 1.00 0.00 O ATOM 1931 CB LEU A 125 7.780 -8.871 0.239 1.00 0.00 C ATOM 1932 CG LEU A 125 7.574 -7.544 -0.491 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.747 -7.726 -1.991 1.00 0.00 C ATOM 1934 CD2 LEU A 125 6.200 -6.970 -0.177 1.00 0.00 C ATOM 0 H LEU A 125 9.923 -7.866 0.949 1.00 0.00 H new ATOM 0 HA LEU A 125 7.426 -8.223 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.542 -9.441 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.854 -9.443 0.179 1.00 0.00 H new ATOM 0 HG LEU A 125 8.329 -6.839 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.596 -6.770 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.753 -8.091 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.016 -8.447 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.071 -6.025 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.430 -7.673 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.113 -6.800 0.896 1.00 0.00 H new ATOM 1946 N PRO A 126 7.220 -10.637 2.939 1.00 0.00 N ATOM 1947 CA PRO A 126 7.175 -11.961 3.565 1.00 0.00 C ATOM 1948 C PRO A 126 7.188 -13.089 2.539 1.00 0.00 C ATOM 1949 O PRO A 126 6.471 -13.040 1.540 1.00 0.00 O ATOM 1950 CB PRO A 126 5.849 -11.948 4.329 1.00 0.00 C ATOM 1951 CG PRO A 126 5.004 -10.958 3.603 1.00 0.00 C ATOM 1952 CD PRO A 126 5.948 -9.909 3.085 1.00 0.00 C ATOM 0 HA PRO A 126 8.045 -12.142 4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.386 -12.935 4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.994 -11.657 5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.462 -11.433 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.259 -10.519 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.609 -9.498 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 126 6.040 -9.074 3.779 1.00 0.00 H new ATOM 1960 N VAL A 127 8.007 -14.104 2.792 1.00 0.00 N ATOM 1961 CA VAL A 127 8.112 -15.246 1.891 1.00 0.00 C ATOM 1962 C VAL A 127 6.828 -16.067 1.893 1.00 0.00 C ATOM 1963 O VAL A 127 6.497 -16.722 0.905 1.00 0.00 O ATOM 1964 CB VAL A 127 9.292 -16.157 2.274 1.00 0.00 C ATOM 1965 CG1 VAL A 127 10.615 -15.438 2.057 1.00 0.00 C ATOM 1966 CG2 VAL A 127 9.159 -16.623 3.716 1.00 0.00 C ATOM 0 H VAL A 127 8.608 -14.159 3.614 1.00 0.00 H new ATOM 0 HA VAL A 127 8.282 -14.846 0.892 1.00 0.00 H new ATOM 0 HB VAL A 127 9.274 -17.036 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 127 11.437 -16.098 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 127 10.710 -15.160 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.647 -14.540 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 127 10.002 -17.266 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.150 -15.758 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.229 -17.180 3.834 1.00 0.00 H new ATOM 1976 N GLU A 128 6.108 -16.027 3.010 1.00 0.00 N ATOM 1977 CA GLU A 128 4.859 -16.769 3.141 1.00 0.00 C ATOM 1978 C GLU A 128 3.918 -16.459 1.980 1.00 0.00 C ATOM 1979 O GLU A 128 2.983 -17.211 1.707 1.00 0.00 O ATOM 1980 CB GLU A 128 4.177 -16.433 4.468 1.00 0.00 C ATOM 1981 CG GLU A 128 4.773 -17.163 5.660 1.00 0.00 C ATOM 1982 CD GLU A 128 4.791 -18.668 5.474 1.00 0.00 C ATOM 1983 OE1 GLU A 128 3.909 -19.189 4.760 1.00 0.00 O ATOM 1984 OE2 GLU A 128 5.689 -19.325 6.041 1.00 0.00 O ATOM 0 H GLU A 128 6.368 -15.489 3.837 1.00 0.00 H new ATOM 0 HA GLU A 128 5.095 -17.833 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.244 -15.359 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.118 -16.678 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.790 -16.809 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.200 -16.918 6.555 1.00 0.00 H new ATOM 1991 N SER A 129 4.173 -15.344 1.301 1.00 0.00 N ATOM 1992 CA SER A 129 3.346 -14.931 0.173 1.00 0.00 C ATOM 1993 C SER A 129 3.458 -15.928 -0.976 1.00 0.00 C ATOM 1994 O SER A 129 2.499 -16.151 -1.715 1.00 0.00 O ATOM 1995 CB SER A 129 3.758 -13.537 -0.305 1.00 0.00 C ATOM 1996 OG SER A 129 5.092 -13.536 -0.783 1.00 0.00 O ATOM 0 H SER A 129 4.945 -14.712 1.512 1.00 0.00 H new ATOM 0 HA SER A 129 2.309 -14.902 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 129 3.085 -13.206 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.661 -12.825 0.514 1.00 0.00 H new ATOM 0 HG SER A 129 5.698 -13.271 -0.060 1.00 0.00 H new ATOM 2002 N TRP A 130 4.635 -16.526 -1.120 1.00 0.00 N ATOM 2003 CA TRP A 130 4.874 -17.500 -2.179 1.00 0.00 C ATOM 2004 C TRP A 130 5.091 -18.893 -1.599 1.00 0.00 C ATOM 2005 O TRP A 130 4.524 -19.871 -2.084 1.00 0.00 O ATOM 2006 CB TRP A 130 6.086 -17.087 -3.016 1.00 0.00 C ATOM 2007 CG TRP A 130 7.329 -16.890 -2.203 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.826 -15.705 -1.739 1.00 0.00 C ATOM 2009 CD2 TRP A 130 8.235 -17.907 -1.761 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.985 -15.924 -1.035 1.00 0.00 N ATOM 2011 CE2 TRP A 130 9.257 -17.267 -1.033 1.00 0.00 C ATOM 2012 CE3 TRP A 130 8.280 -19.296 -1.907 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 10.311 -17.970 -0.455 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 9.327 -19.992 -1.333 1.00 0.00 C ATOM 2015 CH2 TRP A 130 10.330 -19.329 -0.614 1.00 0.00 C ATOM 0 H TRP A 130 5.439 -16.354 -0.517 1.00 0.00 H new ATOM 0 HA TRP A 130 3.992 -17.527 -2.819 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.272 -17.849 -3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.856 -16.162 -3.544 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.374 -14.738 -1.902 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.551 -15.204 -0.587 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.511 -19.816 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 11.086 -17.461 0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 9.373 -21.066 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 130 11.134 -19.902 -0.176 1.00 0.00 H new ATOM 2026 N GLN A 131 5.915 -18.974 -0.559 1.00 0.00 N ATOM 2027 CA GLN A 131 6.207 -20.249 0.086 1.00 0.00 C ATOM 2028 C GLN A 131 4.933 -21.066 0.277 1.00 0.00 C ATOM 2029 O GLN A 131 4.297 -21.006 1.330 1.00 0.00 O ATOM 2030 CB GLN A 131 6.886 -20.017 1.437 1.00 0.00 C ATOM 2031 CG GLN A 131 7.456 -21.283 2.056 1.00 0.00 C ATOM 2032 CD GLN A 131 8.819 -21.643 1.498 1.00 0.00 C ATOM 2033 OE1 GLN A 131 8.930 -22.437 0.564 1.00 0.00 O ATOM 2034 NE2 GLN A 131 9.866 -21.058 2.068 1.00 0.00 N ATOM 0 H GLN A 131 6.392 -18.173 -0.145 1.00 0.00 H new ATOM 0 HA GLN A 131 6.883 -20.809 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.689 -19.291 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.165 -19.578 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.532 -21.152 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 131 6.767 -22.110 1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 131 9.728 -20.406 2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.808 -21.261 1.734 1.00 0.00 H new TER 2043 GLN A 131