USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 795 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 71 THR OG1 : rot 62:sc= 0.735 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0867 (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 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.018 K(o=-0.018,f=-3.6!) USER MOD Single : A 23 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.81) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -37:sc= 0.0689 USER MOD Single : A 28 SER OG : rot 63:sc= 1.25 USER MOD Single : A 32 GLN : amide:sc= -0.849 K(o=-0.85,f=-2.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.605 K(o=-0.61,f=-1.6) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -58:sc= 0.109 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= -0.526 (180deg=-1.97!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -131:sc= -5.87! (180deg=-8.11!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.826 (180deg=-1.5) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc=-0.00905 (180deg=-0.231) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 94 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.5!) USER MOD Single : A 95 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.72) USER MOD Single : A 96 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : A 97 ASN : amide:sc= -0.0984 K(o=-0.098,f=-0.69) USER MOD Single : A 98 MET CE :methyl -119:sc= -0.102 (180deg=-0.585) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 102 SER OG : rot -156:sc= 1.34 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.936 -18.448 27.917 1.00 0.00 N ATOM 2 CA GLY A 1 -8.723 -19.511 26.952 1.00 0.00 C ATOM 3 C GLY A 1 -9.715 -19.461 25.807 1.00 0.00 C ATOM 4 O GLY A 1 -10.408 -18.461 25.619 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.029 -17.985 28.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.597 -17.749 27.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.334 -18.847 28.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.710 -19.440 26.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.801 -20.475 27.455 1.00 0.00 H new ATOM 8 N SER A 2 -9.783 -20.543 25.038 1.00 0.00 N ATOM 9 CA SER A 2 -10.693 -20.617 23.901 1.00 0.00 C ATOM 10 C SER A 2 -11.261 -22.025 23.750 1.00 0.00 C ATOM 11 O SER A 2 -10.749 -22.979 24.337 1.00 0.00 O ATOM 12 CB SER A 2 -9.973 -20.205 22.616 1.00 0.00 C ATOM 13 OG SER A 2 -9.463 -18.887 22.718 1.00 0.00 O ATOM 0 H SER A 2 -9.219 -21.380 25.182 1.00 0.00 H new ATOM 0 HA SER A 2 -11.518 -19.929 24.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.157 -20.899 22.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.662 -20.268 21.773 1.00 0.00 H new ATOM 0 HG SER A 2 -9.006 -18.648 21.885 1.00 0.00 H new ATOM 19 N SER A 3 -12.322 -22.147 22.959 1.00 0.00 N ATOM 20 CA SER A 3 -12.962 -23.438 22.733 1.00 0.00 C ATOM 21 C SER A 3 -14.014 -23.337 21.632 1.00 0.00 C ATOM 22 O SER A 3 -14.618 -22.284 21.430 1.00 0.00 O ATOM 23 CB SER A 3 -13.606 -23.945 24.025 1.00 0.00 C ATOM 24 OG SER A 3 -14.633 -23.070 24.460 1.00 0.00 O ATOM 0 H SER A 3 -12.757 -21.368 22.464 1.00 0.00 H new ATOM 0 HA SER A 3 -12.196 -24.145 22.416 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.017 -24.942 23.864 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.847 -24.035 24.802 1.00 0.00 H new ATOM 0 HG SER A 3 -15.030 -23.417 25.286 1.00 0.00 H new ATOM 30 N GLY A 4 -14.227 -24.441 20.923 1.00 0.00 N ATOM 31 CA GLY A 4 -15.206 -24.456 19.851 1.00 0.00 C ATOM 32 C GLY A 4 -14.569 -24.324 18.482 1.00 0.00 C ATOM 33 O GLY A 4 -13.563 -24.972 18.192 1.00 0.00 O ATOM 0 H GLY A 4 -13.740 -25.325 21.071 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.775 -25.385 19.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.914 -23.641 19.999 1.00 0.00 H new ATOM 37 N SER A 5 -15.156 -23.482 17.637 1.00 0.00 N ATOM 38 CA SER A 5 -14.642 -23.270 16.289 1.00 0.00 C ATOM 39 C SER A 5 -15.415 -22.162 15.581 1.00 0.00 C ATOM 40 O SER A 5 -16.571 -21.891 15.906 1.00 0.00 O ATOM 41 CB SER A 5 -14.728 -24.565 15.479 1.00 0.00 C ATOM 42 OG SER A 5 -13.834 -24.539 14.379 1.00 0.00 O ATOM 0 H SER A 5 -15.988 -22.936 17.862 1.00 0.00 H new ATOM 0 HA SER A 5 -13.598 -22.967 16.368 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.496 -25.415 16.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.747 -24.706 15.120 1.00 0.00 H new ATOM 0 HG SER A 5 -13.907 -25.378 13.878 1.00 0.00 H new ATOM 48 N SER A 6 -14.768 -21.524 14.611 1.00 0.00 N ATOM 49 CA SER A 6 -15.392 -20.442 13.858 1.00 0.00 C ATOM 50 C SER A 6 -14.617 -20.156 12.575 1.00 0.00 C ATOM 51 O SER A 6 -13.474 -19.705 12.615 1.00 0.00 O ATOM 52 CB SER A 6 -15.470 -19.177 14.714 1.00 0.00 C ATOM 53 OG SER A 6 -16.218 -18.165 14.062 1.00 0.00 O ATOM 0 H SER A 6 -13.812 -21.738 14.328 1.00 0.00 H new ATOM 0 HA SER A 6 -16.402 -20.753 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.930 -19.412 15.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.464 -18.813 14.923 1.00 0.00 H new ATOM 0 HG SER A 6 -16.254 -17.368 14.630 1.00 0.00 H new ATOM 59 N GLY A 7 -15.251 -20.421 11.437 1.00 0.00 N ATOM 60 CA GLY A 7 -14.607 -20.187 10.157 1.00 0.00 C ATOM 61 C GLY A 7 -15.599 -20.123 9.013 1.00 0.00 C ATOM 62 O GLY A 7 -16.756 -20.513 9.163 1.00 0.00 O ATOM 0 H GLY A 7 -16.199 -20.793 11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.047 -19.253 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.887 -20.982 9.965 1.00 0.00 H new ATOM 66 N ALA A 8 -15.145 -19.628 7.866 1.00 0.00 N ATOM 67 CA ALA A 8 -16.001 -19.515 6.691 1.00 0.00 C ATOM 68 C ALA A 8 -15.178 -19.548 5.408 1.00 0.00 C ATOM 69 O ALA A 8 -14.198 -18.816 5.268 1.00 0.00 O ATOM 70 CB ALA A 8 -16.825 -18.238 6.759 1.00 0.00 C ATOM 0 H ALA A 8 -14.190 -19.299 7.725 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.677 -20.370 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.459 -18.167 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.448 -18.254 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.158 -17.376 6.797 1.00 0.00 H new ATOM 76 N SER A 9 -15.582 -20.402 4.473 1.00 0.00 N ATOM 77 CA SER A 9 -14.879 -20.533 3.202 1.00 0.00 C ATOM 78 C SER A 9 -15.709 -19.955 2.060 1.00 0.00 C ATOM 79 O SER A 9 -16.929 -19.816 2.153 1.00 0.00 O ATOM 80 CB SER A 9 -14.558 -22.002 2.922 1.00 0.00 C ATOM 81 OG SER A 9 -13.344 -22.387 3.545 1.00 0.00 O ATOM 0 H SER A 9 -16.392 -21.013 4.572 1.00 0.00 H new ATOM 0 HA SER A 9 -13.947 -19.972 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.371 -22.631 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.485 -22.163 1.846 1.00 0.00 H new ATOM 0 HG SER A 9 -13.162 -23.331 3.352 1.00 0.00 H new ATOM 87 N PRO A 10 -15.033 -19.610 0.954 1.00 0.00 N ATOM 88 CA PRO A 10 -15.687 -19.042 -0.229 1.00 0.00 C ATOM 89 C PRO A 10 -16.553 -20.063 -0.959 1.00 0.00 C ATOM 90 O PRO A 10 -16.320 -21.268 -0.867 1.00 0.00 O ATOM 91 CB PRO A 10 -14.512 -18.609 -1.110 1.00 0.00 C ATOM 92 CG PRO A 10 -13.383 -19.488 -0.696 1.00 0.00 C ATOM 93 CD PRO A 10 -13.578 -19.747 0.773 1.00 0.00 C ATOM 0 HA PRO A 10 -16.365 -18.229 0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.743 -18.734 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.271 -17.557 -0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.387 -20.420 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.424 -19.006 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.230 -20.741 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.028 -19.031 1.384 1.00 0.00 H new ATOM 101 N VAL A 11 -17.552 -19.573 -1.685 1.00 0.00 N ATOM 102 CA VAL A 11 -18.452 -20.443 -2.433 1.00 0.00 C ATOM 103 C VAL A 11 -18.813 -19.831 -3.782 1.00 0.00 C ATOM 104 O VAL A 11 -19.043 -18.627 -3.886 1.00 0.00 O ATOM 105 CB VAL A 11 -19.746 -20.722 -1.645 1.00 0.00 C ATOM 106 CG1 VAL A 11 -20.706 -21.561 -2.475 1.00 0.00 C ATOM 107 CG2 VAL A 11 -19.428 -21.409 -0.326 1.00 0.00 C ATOM 0 H VAL A 11 -17.759 -18.578 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.923 -21.383 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.230 -19.770 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.614 -21.748 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.958 -21.026 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.234 -22.511 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.353 -21.599 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.921 -22.354 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.781 -20.767 0.272 1.00 0.00 H new ATOM 117 N GLU A 12 -18.861 -20.670 -4.812 1.00 0.00 N ATOM 118 CA GLU A 12 -19.195 -20.211 -6.155 1.00 0.00 C ATOM 119 C GLU A 12 -20.641 -19.729 -6.223 1.00 0.00 C ATOM 120 O GLU A 12 -21.546 -20.374 -5.694 1.00 0.00 O ATOM 121 CB GLU A 12 -18.971 -21.332 -7.172 1.00 0.00 C ATOM 122 CG GLU A 12 -18.890 -20.844 -8.609 1.00 0.00 C ATOM 123 CD GLU A 12 -19.211 -21.933 -9.614 1.00 0.00 C ATOM 124 OE1 GLU A 12 -20.012 -22.831 -9.281 1.00 0.00 O ATOM 125 OE2 GLU A 12 -18.660 -21.887 -10.734 1.00 0.00 O ATOM 0 H GLU A 12 -18.673 -21.670 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.540 -19.374 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.049 -21.858 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.783 -22.055 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.582 -20.013 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.888 -20.460 -8.802 1.00 0.00 H new ATOM 132 N ASN A 13 -20.850 -18.591 -6.876 1.00 0.00 N ATOM 133 CA ASN A 13 -22.186 -18.022 -7.012 1.00 0.00 C ATOM 134 C ASN A 13 -22.447 -17.583 -8.450 1.00 0.00 C ATOM 135 O ASN A 13 -21.517 -17.419 -9.239 1.00 0.00 O ATOM 136 CB ASN A 13 -22.354 -16.831 -6.066 1.00 0.00 C ATOM 137 CG ASN A 13 -21.788 -17.105 -4.686 1.00 0.00 C ATOM 138 OD1 ASN A 13 -20.707 -16.628 -4.340 1.00 0.00 O ATOM 139 ND2 ASN A 13 -22.518 -17.877 -3.889 1.00 0.00 N ATOM 0 H ASN A 13 -20.112 -18.044 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.910 -18.793 -6.749 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.858 -15.959 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.412 -16.586 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.188 -18.096 -2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.408 -18.251 -4.217 1.00 0.00 H new ATOM 146 N LYS A 14 -23.719 -17.395 -8.783 1.00 0.00 N ATOM 147 CA LYS A 14 -24.105 -16.974 -10.125 1.00 0.00 C ATOM 148 C LYS A 14 -23.155 -15.903 -10.653 1.00 0.00 C ATOM 149 O LYS A 14 -22.495 -15.211 -9.879 1.00 0.00 O ATOM 150 CB LYS A 14 -25.540 -16.442 -10.122 1.00 0.00 C ATOM 151 CG LYS A 14 -26.557 -17.440 -9.598 1.00 0.00 C ATOM 152 CD LYS A 14 -27.093 -18.326 -10.710 1.00 0.00 C ATOM 153 CE LYS A 14 -27.730 -19.592 -10.157 1.00 0.00 C ATOM 154 NZ LYS A 14 -29.104 -19.342 -9.641 1.00 0.00 N ATOM 0 H LYS A 14 -24.501 -17.528 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.048 -17.842 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.583 -15.539 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.814 -16.155 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -26.097 -18.059 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -27.382 -16.906 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.828 -17.773 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.282 -18.592 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.768 -20.351 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.108 -19.991 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.503 -20.229 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -29.065 -18.637 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.705 -18.985 -10.411 1.00 0.00 H new ATOM 168 N GLU A 15 -23.094 -15.772 -11.974 1.00 0.00 N ATOM 169 CA GLU A 15 -22.226 -14.784 -12.604 1.00 0.00 C ATOM 170 C GLU A 15 -22.163 -13.506 -11.773 1.00 0.00 C ATOM 171 O GLU A 15 -23.149 -12.778 -11.657 1.00 0.00 O ATOM 172 CB GLU A 15 -22.721 -14.463 -14.016 1.00 0.00 C ATOM 173 CG GLU A 15 -24.130 -13.896 -14.053 1.00 0.00 C ATOM 174 CD GLU A 15 -24.761 -13.989 -15.428 1.00 0.00 C ATOM 175 OE1 GLU A 15 -24.530 -13.076 -16.249 1.00 0.00 O ATOM 176 OE2 GLU A 15 -25.485 -14.973 -15.684 1.00 0.00 O ATOM 0 H GLU A 15 -23.635 -16.337 -12.629 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.223 -15.207 -12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -22.039 -13.749 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.688 -15.371 -14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -24.752 -14.431 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -24.106 -12.853 -13.738 1.00 0.00 H new ATOM 183 N VAL A 16 -20.996 -13.240 -11.195 1.00 0.00 N ATOM 184 CA VAL A 16 -20.803 -12.051 -10.374 1.00 0.00 C ATOM 185 C VAL A 16 -19.610 -11.235 -10.861 1.00 0.00 C ATOM 186 O VAL A 16 -18.664 -11.778 -11.431 1.00 0.00 O ATOM 187 CB VAL A 16 -20.589 -12.418 -8.894 1.00 0.00 C ATOM 188 CG1 VAL A 16 -19.334 -13.261 -8.729 1.00 0.00 C ATOM 189 CG2 VAL A 16 -20.514 -11.163 -8.038 1.00 0.00 C ATOM 0 H VAL A 16 -20.170 -13.832 -11.280 1.00 0.00 H new ATOM 0 HA VAL A 16 -21.710 -11.454 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 16 -21.442 -13.008 -8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -19.199 -13.511 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -19.433 -14.178 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -18.469 -12.699 -9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -20.363 -11.442 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.682 -10.544 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -21.444 -10.602 -8.132 1.00 0.00 H new ATOM 199 N TYR A 17 -19.662 -9.927 -10.632 1.00 0.00 N ATOM 200 CA TYR A 17 -18.587 -9.035 -11.049 1.00 0.00 C ATOM 201 C TYR A 17 -17.614 -8.781 -9.902 1.00 0.00 C ATOM 202 O TYR A 17 -17.851 -7.923 -9.052 1.00 0.00 O ATOM 203 CB TYR A 17 -19.162 -7.708 -11.548 1.00 0.00 C ATOM 204 CG TYR A 17 -20.241 -7.871 -12.595 1.00 0.00 C ATOM 205 CD1 TYR A 17 -20.206 -8.926 -13.498 1.00 0.00 C ATOM 206 CD2 TYR A 17 -21.295 -6.970 -12.680 1.00 0.00 C ATOM 207 CE1 TYR A 17 -21.189 -9.078 -14.457 1.00 0.00 C ATOM 208 CE2 TYR A 17 -22.283 -7.115 -13.634 1.00 0.00 C ATOM 209 CZ TYR A 17 -22.226 -8.171 -14.521 1.00 0.00 C ATOM 210 OH TYR A 17 -23.208 -8.319 -15.473 1.00 0.00 O ATOM 0 H TYR A 17 -20.437 -9.461 -10.160 1.00 0.00 H new ATOM 0 HA TYR A 17 -18.044 -9.517 -11.862 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -19.570 -7.157 -10.701 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.354 -7.104 -11.962 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -19.397 -9.640 -13.450 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.343 -6.142 -11.988 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.146 -9.903 -15.153 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.096 -6.406 -13.686 1.00 0.00 H new ATOM 0 HH TYR A 17 -23.864 -7.597 -15.381 1.00 0.00 H new ATOM 220 N GLN A 18 -16.519 -9.534 -9.886 1.00 0.00 N ATOM 221 CA GLN A 18 -15.509 -9.392 -8.844 1.00 0.00 C ATOM 222 C GLN A 18 -14.426 -8.406 -9.267 1.00 0.00 C ATOM 223 O GLN A 18 -14.139 -8.254 -10.455 1.00 0.00 O ATOM 224 CB GLN A 18 -14.883 -10.749 -8.522 1.00 0.00 C ATOM 225 CG GLN A 18 -15.565 -11.478 -7.375 1.00 0.00 C ATOM 226 CD GLN A 18 -15.466 -12.986 -7.500 1.00 0.00 C ATOM 227 OE1 GLN A 18 -16.459 -13.665 -7.759 1.00 0.00 O ATOM 228 NE2 GLN A 18 -14.263 -13.517 -7.316 1.00 0.00 N ATOM 0 H GLN A 18 -16.309 -10.249 -10.583 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.998 -9.005 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.919 -11.377 -9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.831 -10.605 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.116 -11.165 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.615 -11.188 -7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.467 -12.916 -7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.135 -14.526 -7.388 1.00 0.00 H new ATOM 237 N CYS A 19 -13.826 -7.737 -8.288 1.00 0.00 N ATOM 238 CA CYS A 19 -12.774 -6.765 -8.558 1.00 0.00 C ATOM 239 C CYS A 19 -11.449 -7.463 -8.851 1.00 0.00 C ATOM 240 O CYS A 19 -11.044 -8.376 -8.131 1.00 0.00 O ATOM 241 CB CYS A 19 -12.610 -5.816 -7.368 1.00 0.00 C ATOM 242 SG CYS A 19 -11.284 -4.585 -7.577 1.00 0.00 S ATOM 0 H CYS A 19 -14.051 -7.851 -7.300 1.00 0.00 H new ATOM 0 HA CYS A 19 -13.063 -6.189 -9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.552 -5.294 -7.200 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.407 -6.404 -6.473 1.00 0.00 H new ATOM 247 N ARG A 20 -10.780 -7.028 -9.913 1.00 0.00 N ATOM 248 CA ARG A 20 -9.502 -7.612 -10.303 1.00 0.00 C ATOM 249 C ARG A 20 -8.361 -7.025 -9.475 1.00 0.00 C ATOM 250 O ARG A 20 -7.196 -7.097 -9.867 1.00 0.00 O ATOM 251 CB ARG A 20 -9.241 -7.374 -11.791 1.00 0.00 C ATOM 252 CG ARG A 20 -10.259 -8.041 -12.702 1.00 0.00 C ATOM 253 CD ARG A 20 -10.072 -9.549 -12.736 1.00 0.00 C ATOM 254 NE ARG A 20 -8.942 -9.942 -13.574 1.00 0.00 N ATOM 255 CZ ARG A 20 -7.707 -10.106 -13.113 1.00 0.00 C ATOM 256 NH1 ARG A 20 -7.444 -9.912 -11.828 1.00 0.00 N ATOM 257 NH2 ARG A 20 -6.732 -10.465 -13.938 1.00 0.00 N ATOM 0 H ARG A 20 -11.101 -6.273 -10.519 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.549 -8.685 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.241 -6.301 -11.984 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.246 -7.743 -12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.266 -7.806 -12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.165 -7.639 -13.711 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.917 -9.918 -11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.982 -10.019 -13.110 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.110 -10.099 -14.568 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.191 -9.636 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.495 -10.039 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.930 -10.615 -14.927 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.784 -10.591 -13.583 1.00 0.00 H new ATOM 271 N LEU A 21 -8.705 -6.445 -8.331 1.00 0.00 N ATOM 272 CA LEU A 21 -7.711 -5.845 -7.448 1.00 0.00 C ATOM 273 C LEU A 21 -7.747 -6.494 -6.068 1.00 0.00 C ATOM 274 O LEU A 21 -6.705 -6.814 -5.493 1.00 0.00 O ATOM 275 CB LEU A 21 -7.953 -4.340 -7.323 1.00 0.00 C ATOM 276 CG LEU A 21 -8.220 -3.592 -8.630 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.648 -2.161 -8.348 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.985 -3.617 -9.520 1.00 0.00 C ATOM 0 H LEU A 21 -9.665 -6.377 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.726 -6.013 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.802 -4.183 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.084 -3.891 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.032 -4.095 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.834 -1.644 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.560 -2.165 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.858 -1.646 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.193 -3.080 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.154 -3.139 -9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.723 -4.650 -9.750 1.00 0.00 H new ATOM 290 N CYS A 22 -8.951 -6.687 -5.541 1.00 0.00 N ATOM 291 CA CYS A 22 -9.124 -7.299 -4.229 1.00 0.00 C ATOM 292 C CYS A 22 -10.041 -8.515 -4.313 1.00 0.00 C ATOM 293 O CYS A 22 -10.131 -9.303 -3.373 1.00 0.00 O ATOM 294 CB CYS A 22 -9.697 -6.282 -3.240 1.00 0.00 C ATOM 295 SG CYS A 22 -11.252 -5.507 -3.788 1.00 0.00 S ATOM 0 H CYS A 22 -9.823 -6.428 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.146 -7.627 -3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.867 -6.777 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.956 -5.502 -3.067 1.00 0.00 H new ATOM 300 N ASN A 23 -10.720 -8.661 -5.447 1.00 0.00 N ATOM 301 CA ASN A 23 -11.630 -9.781 -5.654 1.00 0.00 C ATOM 302 C ASN A 23 -12.869 -9.646 -4.773 1.00 0.00 C ATOM 303 O ASN A 23 -13.294 -10.605 -4.131 1.00 0.00 O ATOM 304 CB ASN A 23 -10.921 -11.104 -5.356 1.00 0.00 C ATOM 305 CG ASN A 23 -9.518 -11.149 -5.929 1.00 0.00 C ATOM 306 OD1 ASN A 23 -8.541 -10.880 -5.231 1.00 0.00 O ATOM 307 ND2 ASN A 23 -9.412 -11.492 -7.208 1.00 0.00 N ATOM 0 H ASN A 23 -10.657 -8.018 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.945 -9.772 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.875 -11.254 -4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.505 -11.927 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.493 -11.540 -7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.249 -11.707 -7.749 1.00 0.00 H new ATOM 314 N ALA A 24 -13.443 -8.447 -4.750 1.00 0.00 N ATOM 315 CA ALA A 24 -14.634 -8.187 -3.951 1.00 0.00 C ATOM 316 C ALA A 24 -15.880 -8.117 -4.829 1.00 0.00 C ATOM 317 O ALA A 24 -16.020 -7.215 -5.656 1.00 0.00 O ATOM 318 CB ALA A 24 -14.469 -6.896 -3.163 1.00 0.00 C ATOM 0 H ALA A 24 -13.103 -7.642 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.760 -9.014 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.366 -6.714 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.608 -6.982 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.315 -6.066 -3.853 1.00 0.00 H new ATOM 324 N LYS A 25 -16.782 -9.074 -4.645 1.00 0.00 N ATOM 325 CA LYS A 25 -18.017 -9.122 -5.418 1.00 0.00 C ATOM 326 C LYS A 25 -18.701 -7.759 -5.435 1.00 0.00 C ATOM 327 O LYS A 25 -18.913 -7.146 -4.388 1.00 0.00 O ATOM 328 CB LYS A 25 -18.966 -10.174 -4.839 1.00 0.00 C ATOM 329 CG LYS A 25 -18.504 -11.602 -5.071 1.00 0.00 C ATOM 330 CD LYS A 25 -19.020 -12.537 -3.989 1.00 0.00 C ATOM 331 CE LYS A 25 -18.470 -13.944 -4.160 1.00 0.00 C ATOM 332 NZ LYS A 25 -17.116 -14.088 -3.556 1.00 0.00 N ATOM 0 H LYS A 25 -16.681 -9.828 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.764 -9.395 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.072 -10.005 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.953 -10.044 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.852 -11.944 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.415 -11.634 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.738 -12.152 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -20.109 -12.565 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.151 -14.659 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.422 -14.189 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.776 -15.061 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.459 -13.424 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.166 -13.880 -2.538 1.00 0.00 H new ATOM 346 N LEU A 26 -19.046 -7.290 -6.630 1.00 0.00 N ATOM 347 CA LEU A 26 -19.709 -5.999 -6.783 1.00 0.00 C ATOM 348 C LEU A 26 -21.225 -6.162 -6.781 1.00 0.00 C ATOM 349 O LEU A 26 -21.741 -7.268 -6.620 1.00 0.00 O ATOM 350 CB LEU A 26 -19.258 -5.323 -8.079 1.00 0.00 C ATOM 351 CG LEU A 26 -18.002 -4.458 -7.983 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.045 -3.591 -6.734 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.753 -5.328 -7.987 1.00 0.00 C ATOM 0 H LEU A 26 -18.878 -7.784 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.429 -5.371 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.086 -6.096 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.076 -4.702 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.968 -3.804 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.142 -2.982 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.919 -2.941 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.104 -4.227 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.868 -4.695 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.780 -6.008 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.715 -5.905 -8.911 1.00 0.00 H new ATOM 365 N SER A 27 -21.935 -5.053 -6.963 1.00 0.00 N ATOM 366 CA SER A 27 -23.393 -5.072 -6.981 1.00 0.00 C ATOM 367 C SER A 27 -23.921 -4.898 -8.402 1.00 0.00 C ATOM 368 O SER A 27 -25.104 -5.111 -8.667 1.00 0.00 O ATOM 369 CB SER A 27 -23.950 -3.969 -6.079 1.00 0.00 C ATOM 370 OG SER A 27 -25.339 -4.142 -5.861 1.00 0.00 O ATOM 0 H SER A 27 -21.524 -4.130 -7.100 1.00 0.00 H new ATOM 0 HA SER A 27 -23.724 -6.040 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.425 -3.976 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.769 -2.996 -6.535 1.00 0.00 H new ATOM 0 HG SER A 27 -25.759 -4.477 -6.680 1.00 0.00 H new ATOM 376 N SER A 28 -23.034 -4.509 -9.313 1.00 0.00 N ATOM 377 CA SER A 28 -23.410 -4.302 -10.706 1.00 0.00 C ATOM 378 C SER A 28 -22.186 -3.980 -11.557 1.00 0.00 C ATOM 379 O SER A 28 -21.145 -3.573 -11.040 1.00 0.00 O ATOM 380 CB SER A 28 -24.434 -3.171 -10.817 1.00 0.00 C ATOM 381 OG SER A 28 -25.746 -3.643 -10.561 1.00 0.00 O ATOM 0 H SER A 28 -22.050 -4.331 -9.111 1.00 0.00 H new ATOM 0 HA SER A 28 -23.856 -5.225 -11.077 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.185 -2.380 -10.110 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.390 -2.733 -11.814 1.00 0.00 H new ATOM 0 HG SER A 28 -25.801 -3.973 -9.640 1.00 0.00 H new ATOM 387 N LEU A 29 -22.318 -4.165 -12.866 1.00 0.00 N ATOM 388 CA LEU A 29 -21.223 -3.895 -13.792 1.00 0.00 C ATOM 389 C LEU A 29 -20.604 -2.528 -13.518 1.00 0.00 C ATOM 390 O LEU A 29 -19.381 -2.375 -13.525 1.00 0.00 O ATOM 391 CB LEU A 29 -21.722 -3.962 -15.236 1.00 0.00 C ATOM 392 CG LEU A 29 -20.681 -4.349 -16.288 1.00 0.00 C ATOM 393 CD1 LEU A 29 -20.333 -5.825 -16.176 1.00 0.00 C ATOM 394 CD2 LEU A 29 -21.189 -4.023 -17.685 1.00 0.00 C ATOM 0 H LEU A 29 -23.172 -4.501 -13.310 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.457 -4.657 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.541 -4.679 -15.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -22.134 -2.989 -15.502 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.776 -3.769 -16.108 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.591 -6.082 -16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.927 -6.029 -15.185 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -21.231 -6.423 -16.330 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.436 -4.305 -18.421 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -22.108 -4.577 -17.876 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.387 -2.954 -17.760 1.00 0.00 H new ATOM 406 N LEU A 30 -21.454 -1.537 -13.275 1.00 0.00 N ATOM 407 CA LEU A 30 -20.991 -0.182 -12.996 1.00 0.00 C ATOM 408 C LEU A 30 -20.102 -0.155 -11.757 1.00 0.00 C ATOM 409 O LEU A 30 -18.989 0.369 -11.793 1.00 0.00 O ATOM 410 CB LEU A 30 -22.184 0.756 -12.803 1.00 0.00 C ATOM 411 CG LEU A 30 -21.972 2.208 -13.233 1.00 0.00 C ATOM 412 CD1 LEU A 30 -20.781 2.812 -12.505 1.00 0.00 C ATOM 413 CD2 LEU A 30 -21.779 2.296 -14.740 1.00 0.00 C ATOM 0 H LEU A 30 -22.468 -1.646 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.404 0.158 -13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.031 0.353 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.461 0.747 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.862 2.779 -12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.646 3.845 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.959 2.784 -11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.883 2.240 -12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -21.630 3.337 -15.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.906 1.711 -15.030 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.663 1.904 -15.243 1.00 0.00 H new ATOM 425 N GLU A 31 -20.600 -0.724 -10.664 1.00 0.00 N ATOM 426 CA GLU A 31 -19.850 -0.766 -9.415 1.00 0.00 C ATOM 427 C GLU A 31 -18.446 -1.320 -9.642 1.00 0.00 C ATOM 428 O GLU A 31 -17.519 -1.013 -8.894 1.00 0.00 O ATOM 429 CB GLU A 31 -20.586 -1.619 -8.380 1.00 0.00 C ATOM 430 CG GLU A 31 -20.362 -1.165 -6.947 1.00 0.00 C ATOM 431 CD GLU A 31 -21.397 -1.723 -5.990 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.499 -1.141 -5.904 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.106 -2.740 -5.327 1.00 0.00 O ATOM 0 H GLU A 31 -21.520 -1.162 -10.618 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.763 0.253 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.654 -1.597 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.262 -2.655 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.368 -1.475 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.385 -0.076 -6.907 1.00 0.00 H new ATOM 440 N GLN A 32 -18.300 -2.139 -10.679 1.00 0.00 N ATOM 441 CA GLN A 32 -17.011 -2.738 -11.004 1.00 0.00 C ATOM 442 C GLN A 32 -16.081 -1.713 -11.644 1.00 0.00 C ATOM 443 O GLN A 32 -14.904 -1.624 -11.296 1.00 0.00 O ATOM 444 CB GLN A 32 -17.200 -3.930 -11.943 1.00 0.00 C ATOM 445 CG GLN A 32 -15.989 -4.845 -12.017 1.00 0.00 C ATOM 446 CD GLN A 32 -16.188 -6.001 -12.977 1.00 0.00 C ATOM 447 OE1 GLN A 32 -17.181 -6.056 -13.703 1.00 0.00 O ATOM 448 NE2 GLN A 32 -15.243 -6.933 -12.986 1.00 0.00 N ATOM 0 H GLN A 32 -19.058 -2.403 -11.308 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.556 -3.085 -10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.062 -4.509 -11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.428 -3.561 -12.943 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.119 -4.266 -12.327 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.773 -5.236 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.437 -6.848 -12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.323 -7.735 -13.612 1.00 0.00 H new ATOM 457 N GLY A 33 -16.617 -0.940 -12.584 1.00 0.00 N ATOM 458 CA GLY A 33 -15.821 0.069 -13.259 1.00 0.00 C ATOM 459 C GLY A 33 -15.496 1.247 -12.362 1.00 0.00 C ATOM 460 O GLY A 33 -14.465 1.898 -12.530 1.00 0.00 O ATOM 0 H GLY A 33 -17.588 -0.995 -12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.893 -0.381 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.359 0.423 -14.138 1.00 0.00 H new ATOM 464 N SER A 34 -16.378 1.523 -11.407 1.00 0.00 N ATOM 465 CA SER A 34 -16.183 2.634 -10.483 1.00 0.00 C ATOM 466 C SER A 34 -15.320 2.211 -9.299 1.00 0.00 C ATOM 467 O SER A 34 -14.378 2.908 -8.922 1.00 0.00 O ATOM 468 CB SER A 34 -17.533 3.155 -9.986 1.00 0.00 C ATOM 469 OG SER A 34 -18.057 4.134 -10.865 1.00 0.00 O ATOM 0 H SER A 34 -17.235 0.992 -11.253 1.00 0.00 H new ATOM 0 HA SER A 34 -15.669 3.433 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.236 2.327 -9.899 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.417 3.581 -8.989 1.00 0.00 H new ATOM 0 HG SER A 34 -18.921 4.449 -10.526 1.00 0.00 H new ATOM 475 N HIS A 35 -15.650 1.063 -8.715 1.00 0.00 N ATOM 476 CA HIS A 35 -14.905 0.545 -7.573 1.00 0.00 C ATOM 477 C HIS A 35 -13.417 0.443 -7.895 1.00 0.00 C ATOM 478 O HIS A 35 -12.577 0.452 -6.996 1.00 0.00 O ATOM 479 CB HIS A 35 -15.445 -0.826 -7.164 1.00 0.00 C ATOM 480 CG HIS A 35 -14.584 -1.536 -6.166 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.767 -1.429 -4.803 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.530 -2.368 -6.338 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.862 -2.163 -4.181 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.099 -2.744 -5.089 1.00 0.00 N ATOM 0 H HIS A 35 -16.428 0.474 -9.014 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.032 1.240 -6.743 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.445 -0.704 -6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.544 -1.448 -8.053 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -15.488 -0.870 -4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.107 -2.678 -7.282 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.763 -2.270 -3.111 1.00 0.00 H new ATOM 492 N GLU A 36 -13.100 0.346 -9.182 1.00 0.00 N ATOM 493 CA GLU A 36 -11.714 0.241 -9.621 1.00 0.00 C ATOM 494 C GLU A 36 -11.014 1.595 -9.541 1.00 0.00 C ATOM 495 O GLU A 36 -9.787 1.667 -9.470 1.00 0.00 O ATOM 496 CB GLU A 36 -11.648 -0.296 -11.052 1.00 0.00 C ATOM 497 CG GLU A 36 -11.718 -1.811 -11.138 1.00 0.00 C ATOM 498 CD GLU A 36 -10.963 -2.363 -12.332 1.00 0.00 C ATOM 499 OE1 GLU A 36 -10.772 -1.613 -13.312 1.00 0.00 O ATOM 500 OE2 GLU A 36 -10.564 -3.546 -12.286 1.00 0.00 O ATOM 0 H GLU A 36 -13.784 0.338 -9.939 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.201 -0.454 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.468 0.130 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.722 0.043 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.310 -2.242 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.762 -2.120 -11.198 1.00 0.00 H new ATOM 507 N ARG A 37 -11.803 2.664 -9.554 1.00 0.00 N ATOM 508 CA ARG A 37 -11.260 4.015 -9.485 1.00 0.00 C ATOM 509 C ARG A 37 -10.773 4.334 -8.075 1.00 0.00 C ATOM 510 O ARG A 37 -9.719 4.945 -7.894 1.00 0.00 O ATOM 511 CB ARG A 37 -12.317 5.035 -9.913 1.00 0.00 C ATOM 512 CG ARG A 37 -12.306 5.334 -11.403 1.00 0.00 C ATOM 513 CD ARG A 37 -13.162 6.547 -11.735 1.00 0.00 C ATOM 514 NE ARG A 37 -13.243 6.783 -13.173 1.00 0.00 N ATOM 515 CZ ARG A 37 -14.053 6.112 -13.984 1.00 0.00 C ATOM 516 NH1 ARG A 37 -14.849 5.168 -13.499 1.00 0.00 N ATOM 517 NH2 ARG A 37 -14.070 6.385 -15.282 1.00 0.00 N ATOM 0 H ARG A 37 -12.820 2.621 -9.612 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.411 4.073 -10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.303 4.664 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.158 5.963 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.282 5.509 -11.732 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.674 4.467 -11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.165 6.403 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.747 7.428 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.644 7.503 -13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.840 4.956 -12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.470 4.654 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.460 7.111 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.693 5.869 -15.904 1.00 0.00 H new ATOM 531 N LEU A 38 -11.546 3.916 -7.079 1.00 0.00 N ATOM 532 CA LEU A 38 -11.194 4.156 -5.684 1.00 0.00 C ATOM 533 C LEU A 38 -10.287 3.051 -5.152 1.00 0.00 C ATOM 534 O LEU A 38 -9.463 3.282 -4.267 1.00 0.00 O ATOM 535 CB LEU A 38 -12.458 4.250 -4.827 1.00 0.00 C ATOM 536 CG LEU A 38 -13.649 3.414 -5.294 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.461 2.930 -4.103 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.523 4.215 -6.248 1.00 0.00 C ATOM 0 H LEU A 38 -12.421 3.409 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.654 5.101 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.206 3.950 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.767 5.294 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.269 2.542 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.305 2.337 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.831 2.318 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.830 3.788 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.366 3.603 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.894 5.106 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.936 4.511 -7.118 1.00 0.00 H new ATOM 550 N CYS A 39 -10.442 1.851 -5.701 1.00 0.00 N ATOM 551 CA CYS A 39 -9.636 0.709 -5.284 1.00 0.00 C ATOM 552 C CYS A 39 -8.260 0.746 -5.943 1.00 0.00 C ATOM 553 O CYS A 39 -7.521 -0.238 -5.913 1.00 0.00 O ATOM 554 CB CYS A 39 -10.348 -0.599 -5.635 1.00 0.00 C ATOM 555 SG CYS A 39 -9.532 -2.089 -4.977 1.00 0.00 S ATOM 0 H CYS A 39 -11.118 1.644 -6.436 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.503 0.763 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.368 -0.558 -5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.416 -0.684 -6.720 1.00 0.00 H new ATOM 560 N ARG A 40 -7.924 1.887 -6.536 1.00 0.00 N ATOM 561 CA ARG A 40 -6.638 2.051 -7.203 1.00 0.00 C ATOM 562 C ARG A 40 -5.801 3.123 -6.511 1.00 0.00 C ATOM 563 O ARG A 40 -4.574 3.034 -6.468 1.00 0.00 O ATOM 564 CB ARG A 40 -6.845 2.420 -8.673 1.00 0.00 C ATOM 565 CG ARG A 40 -5.593 2.267 -9.521 1.00 0.00 C ATOM 566 CD ARG A 40 -5.525 0.894 -10.171 1.00 0.00 C ATOM 567 NE ARG A 40 -6.546 0.724 -11.200 1.00 0.00 N ATOM 568 CZ ARG A 40 -6.436 -0.131 -12.211 1.00 0.00 C ATOM 569 NH1 ARG A 40 -5.355 -0.890 -12.327 1.00 0.00 N ATOM 570 NH2 ARG A 40 -7.409 -0.228 -13.108 1.00 0.00 N ATOM 0 H ARG A 40 -8.524 2.711 -6.568 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.103 1.103 -7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.634 1.793 -9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.192 3.452 -8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.578 3.037 -10.292 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.711 2.421 -8.900 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.539 0.750 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.648 0.125 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.390 1.293 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.605 -0.818 -11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.273 -1.546 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.242 0.354 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.324 -0.885 -13.884 1.00 0.00 H new ATOM 584 N ASN A 41 -6.472 4.136 -5.973 1.00 0.00 N ATOM 585 CA ASN A 41 -5.790 5.226 -5.285 1.00 0.00 C ATOM 586 C ASN A 41 -5.940 5.092 -3.772 1.00 0.00 C ATOM 587 O ASN A 41 -5.079 5.534 -3.012 1.00 0.00 O ATOM 588 CB ASN A 41 -6.345 6.575 -5.746 1.00 0.00 C ATOM 589 CG ASN A 41 -7.654 6.925 -5.064 1.00 0.00 C ATOM 590 OD1 ASN A 41 -8.692 6.326 -5.343 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.609 7.900 -4.164 1.00 0.00 N ATOM 0 H ASN A 41 -7.488 4.225 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.730 5.173 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.612 7.355 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.495 6.553 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.458 8.180 -3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.726 8.369 -3.964 1.00 0.00 H new ATOM 598 N ALA A 42 -7.038 4.479 -3.343 1.00 0.00 N ATOM 599 CA ALA A 42 -7.299 4.284 -1.923 1.00 0.00 C ATOM 600 C ALA A 42 -6.000 4.094 -1.147 1.00 0.00 C ATOM 601 O ALA A 42 -5.671 4.887 -0.265 1.00 0.00 O ATOM 602 CB ALA A 42 -8.220 3.092 -1.714 1.00 0.00 C ATOM 0 H ALA A 42 -7.761 4.109 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.791 5.180 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.406 2.958 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.165 3.268 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.750 2.194 -2.115 1.00 0.00 H new ATOM 608 N ALA A 43 -5.266 3.038 -1.481 1.00 0.00 N ATOM 609 CA ALA A 43 -4.002 2.744 -0.816 1.00 0.00 C ATOM 610 C ALA A 43 -2.875 2.575 -1.829 1.00 0.00 C ATOM 611 O ALA A 43 -2.758 1.534 -2.475 1.00 0.00 O ATOM 612 CB ALA A 43 -4.135 1.495 0.042 1.00 0.00 C ATOM 0 H ALA A 43 -5.525 2.371 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.753 3.588 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.184 1.287 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.906 1.652 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.411 0.649 -0.587 1.00 0.00 H new ATOM 618 N VAL A 44 -2.048 3.607 -1.964 1.00 0.00 N ATOM 619 CA VAL A 44 -0.929 3.572 -2.899 1.00 0.00 C ATOM 620 C VAL A 44 0.394 3.816 -2.182 1.00 0.00 C ATOM 621 O VAL A 44 0.671 4.926 -1.728 1.00 0.00 O ATOM 622 CB VAL A 44 -1.097 4.621 -4.014 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.062 4.546 -4.997 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.426 4.430 -4.729 1.00 0.00 C ATOM 0 H VAL A 44 -2.132 4.477 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.919 2.577 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.094 5.612 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.074 5.294 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.998 4.736 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.094 3.554 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.528 5.180 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.461 3.434 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.242 4.539 -4.015 1.00 0.00 H new ATOM 634 N CYS A 45 1.208 2.770 -2.084 1.00 0.00 N ATOM 635 CA CYS A 45 2.504 2.869 -1.422 1.00 0.00 C ATOM 636 C CYS A 45 3.440 3.794 -2.195 1.00 0.00 C ATOM 637 O CYS A 45 3.790 3.542 -3.348 1.00 0.00 O ATOM 638 CB CYS A 45 3.137 1.483 -1.286 1.00 0.00 C ATOM 639 SG CYS A 45 4.615 1.443 -0.221 1.00 0.00 S ATOM 0 H CYS A 45 0.993 1.844 -2.454 1.00 0.00 H new ATOM 0 HA CYS A 45 2.346 3.288 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.394 0.794 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.407 1.119 -2.278 1.00 0.00 H new ATOM 644 N PRO A 46 3.856 4.891 -1.545 1.00 0.00 N ATOM 645 CA PRO A 46 4.758 5.876 -2.151 1.00 0.00 C ATOM 646 C PRO A 46 6.170 5.331 -2.337 1.00 0.00 C ATOM 647 O PRO A 46 7.082 6.063 -2.722 1.00 0.00 O ATOM 648 CB PRO A 46 4.757 7.026 -1.140 1.00 0.00 C ATOM 649 CG PRO A 46 4.412 6.387 0.160 1.00 0.00 C ATOM 650 CD PRO A 46 3.479 5.255 -0.169 1.00 0.00 C ATOM 0 HA PRO A 46 4.432 6.168 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.730 7.514 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.029 7.791 -1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.306 6.021 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.937 7.102 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.606 4.418 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.435 5.563 -0.107 1.00 0.00 H new ATOM 658 N TYR A 47 6.343 4.043 -2.062 1.00 0.00 N ATOM 659 CA TYR A 47 7.645 3.401 -2.198 1.00 0.00 C ATOM 660 C TYR A 47 7.708 2.560 -3.469 1.00 0.00 C ATOM 661 O TYR A 47 8.553 2.785 -4.336 1.00 0.00 O ATOM 662 CB TYR A 47 7.934 2.524 -0.978 1.00 0.00 C ATOM 663 CG TYR A 47 7.916 3.282 0.330 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.426 4.572 0.416 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.388 2.709 1.480 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.412 5.267 1.610 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.368 3.397 2.677 1.00 0.00 C ATOM 668 CZ TYR A 47 7.881 4.676 2.737 1.00 0.00 C ATOM 669 OH TYR A 47 7.864 5.365 3.928 1.00 0.00 O ATOM 0 H TYR A 47 5.598 3.423 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 47 8.402 4.182 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.196 1.723 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.909 2.053 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.840 5.039 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.986 1.708 1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.815 6.268 1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.953 2.936 3.561 1.00 0.00 H new ATOM 0 HH TYR A 47 7.455 4.807 4.623 1.00 0.00 H new ATOM 679 N CYS A 48 6.806 1.590 -3.574 1.00 0.00 N ATOM 680 CA CYS A 48 6.756 0.713 -4.738 1.00 0.00 C ATOM 681 C CYS A 48 5.585 1.079 -5.644 1.00 0.00 C ATOM 682 O CYS A 48 5.476 0.584 -6.766 1.00 0.00 O ATOM 683 CB CYS A 48 6.638 -0.747 -4.298 1.00 0.00 C ATOM 684 SG CYS A 48 5.262 -1.069 -3.148 1.00 0.00 S ATOM 0 H CYS A 48 6.099 1.391 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 48 7.681 0.842 -5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.513 -1.373 -5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.572 -1.049 -3.824 1.00 0.00 H new ATOM 689 N SER A 49 4.710 1.950 -5.150 1.00 0.00 N ATOM 690 CA SER A 49 3.545 2.380 -5.913 1.00 0.00 C ATOM 691 C SER A 49 2.539 1.241 -6.057 1.00 0.00 C ATOM 692 O SER A 49 2.056 0.959 -7.155 1.00 0.00 O ATOM 693 CB SER A 49 3.970 2.878 -7.296 1.00 0.00 C ATOM 694 OG SER A 49 2.916 3.583 -7.930 1.00 0.00 O ATOM 0 H SER A 49 4.787 2.371 -4.224 1.00 0.00 H new ATOM 0 HA SER A 49 3.068 3.197 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.840 3.527 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.270 2.032 -7.914 1.00 0.00 H new ATOM 0 HG SER A 49 2.133 2.999 -8.010 1.00 0.00 H new ATOM 700 N LEU A 50 2.228 0.591 -4.941 1.00 0.00 N ATOM 701 CA LEU A 50 1.280 -0.518 -4.941 1.00 0.00 C ATOM 702 C LEU A 50 -0.157 -0.006 -4.930 1.00 0.00 C ATOM 703 O LEU A 50 -0.396 1.201 -4.965 1.00 0.00 O ATOM 704 CB LEU A 50 1.522 -1.421 -3.730 1.00 0.00 C ATOM 705 CG LEU A 50 2.475 -2.597 -3.949 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.062 -3.062 -2.626 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.757 -3.742 -4.648 1.00 0.00 C ATOM 0 H LEU A 50 2.618 0.812 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 50 1.433 -1.095 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.913 -0.809 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.561 -1.815 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 50 3.293 -2.263 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.737 -3.899 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.613 -2.242 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.257 -3.378 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.450 -4.570 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.920 -4.075 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.386 -3.403 -5.615 1.00 0.00 H new ATOM 719 N ARG A 51 -1.109 -0.931 -4.877 1.00 0.00 N ATOM 720 CA ARG A 51 -2.522 -0.573 -4.860 1.00 0.00 C ATOM 721 C ARG A 51 -3.334 -1.603 -4.080 1.00 0.00 C ATOM 722 O ARG A 51 -3.585 -2.707 -4.564 1.00 0.00 O ATOM 723 CB ARG A 51 -3.059 -0.460 -6.288 1.00 0.00 C ATOM 724 CG ARG A 51 -2.388 0.631 -7.106 1.00 0.00 C ATOM 725 CD ARG A 51 -2.537 0.380 -8.598 1.00 0.00 C ATOM 726 NE ARG A 51 -1.902 -0.870 -9.009 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.079 -0.970 -10.047 1.00 0.00 C ATOM 728 NH1 ARG A 51 -0.793 0.100 -10.775 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.541 -2.142 -10.357 1.00 0.00 N ATOM 0 H ARG A 51 -0.928 -1.934 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.620 0.393 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.925 -1.416 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.131 -0.267 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.824 1.597 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.330 0.682 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.595 0.351 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.096 1.209 -9.151 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.102 -1.712 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.205 1.003 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.161 0.021 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.759 -2.967 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.091 -2.218 -11.154 1.00 0.00 H new ATOM 743 N PHE A 52 -3.741 -1.235 -2.870 1.00 0.00 N ATOM 744 CA PHE A 52 -4.523 -2.127 -2.022 1.00 0.00 C ATOM 745 C PHE A 52 -5.955 -1.619 -1.873 1.00 0.00 C ATOM 746 O PHE A 52 -6.235 -0.442 -2.101 1.00 0.00 O ATOM 747 CB PHE A 52 -3.871 -2.257 -0.644 1.00 0.00 C ATOM 748 CG PHE A 52 -2.484 -2.831 -0.689 1.00 0.00 C ATOM 749 CD1 PHE A 52 -2.283 -4.199 -0.610 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.380 -2.001 -0.810 1.00 0.00 C ATOM 751 CE1 PHE A 52 -1.008 -4.731 -0.652 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.103 -2.527 -0.853 1.00 0.00 C ATOM 753 CZ PHE A 52 0.084 -3.893 -0.772 1.00 0.00 C ATOM 0 H PHE A 52 -3.542 -0.325 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.551 -3.107 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.834 -1.274 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.497 -2.888 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.133 -4.858 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.520 -0.932 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.866 -5.800 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.749 -1.870 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.082 -4.305 -0.802 1.00 0.00 H new ATOM 763 N PHE A 53 -6.857 -2.517 -1.491 1.00 0.00 N ATOM 764 CA PHE A 53 -8.261 -2.162 -1.313 1.00 0.00 C ATOM 765 C PHE A 53 -8.422 -1.115 -0.215 1.00 0.00 C ATOM 766 O PHE A 53 -9.111 -0.111 -0.396 1.00 0.00 O ATOM 767 CB PHE A 53 -9.084 -3.405 -0.973 1.00 0.00 C ATOM 768 CG PHE A 53 -10.379 -3.095 -0.278 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.117 -1.976 -0.627 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.858 -3.923 0.725 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.309 -1.688 0.011 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.049 -3.640 1.366 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.775 -2.520 1.009 1.00 0.00 C ATOM 0 H PHE A 53 -6.641 -3.495 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.625 -1.739 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.296 -3.953 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.489 -4.063 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.757 -1.321 -1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.294 -4.799 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.875 -0.813 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.412 -4.294 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.705 -2.296 1.510 1.00 0.00 H new ATOM 783 N SER A 54 -7.782 -1.357 0.924 1.00 0.00 N ATOM 784 CA SER A 54 -7.858 -0.438 2.054 1.00 0.00 C ATOM 785 C SER A 54 -6.485 0.149 2.369 1.00 0.00 C ATOM 786 O SER A 54 -5.446 -0.437 2.065 1.00 0.00 O ATOM 787 CB SER A 54 -8.413 -1.156 3.286 1.00 0.00 C ATOM 788 OG SER A 54 -9.830 -1.155 3.281 1.00 0.00 O ATOM 0 H SER A 54 -7.205 -2.182 1.089 1.00 0.00 H new ATOM 0 HA SER A 54 -8.530 0.377 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.047 -2.182 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.049 -0.668 4.190 1.00 0.00 H new ATOM 0 HG SER A 54 -10.160 -1.621 4.077 1.00 0.00 H new ATOM 794 N PRO A 55 -6.480 1.336 2.994 1.00 0.00 N ATOM 795 CA PRO A 55 -5.243 2.030 3.365 1.00 0.00 C ATOM 796 C PRO A 55 -4.498 1.323 4.492 1.00 0.00 C ATOM 797 O PRO A 55 -3.284 1.469 4.631 1.00 0.00 O ATOM 798 CB PRO A 55 -5.733 3.404 3.828 1.00 0.00 C ATOM 799 CG PRO A 55 -7.136 3.176 4.274 1.00 0.00 C ATOM 800 CD PRO A 55 -7.681 2.092 3.387 1.00 0.00 C ATOM 0 HA PRO A 55 -4.535 2.071 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.117 3.791 4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.688 4.133 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.169 2.876 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.727 4.087 4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.397 1.462 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.198 2.504 2.520 1.00 0.00 H new ATOM 808 N GLU A 56 -5.232 0.557 5.292 1.00 0.00 N ATOM 809 CA GLU A 56 -4.639 -0.172 6.407 1.00 0.00 C ATOM 810 C GLU A 56 -3.733 -1.293 5.903 1.00 0.00 C ATOM 811 O GLU A 56 -2.718 -1.612 6.523 1.00 0.00 O ATOM 812 CB GLU A 56 -5.732 -0.751 7.307 1.00 0.00 C ATOM 813 CG GLU A 56 -6.157 0.183 8.427 1.00 0.00 C ATOM 814 CD GLU A 56 -7.076 -0.487 9.429 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.801 -1.645 9.806 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.072 0.147 9.836 1.00 0.00 O ATOM 0 H GLU A 56 -6.238 0.425 5.189 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.036 0.528 6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.602 -0.993 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.377 -1.686 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.271 0.552 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.661 1.050 8.000 1.00 0.00 H new ATOM 823 N LEU A 57 -4.108 -1.887 4.776 1.00 0.00 N ATOM 824 CA LEU A 57 -3.330 -2.972 4.188 1.00 0.00 C ATOM 825 C LEU A 57 -1.976 -2.470 3.700 1.00 0.00 C ATOM 826 O LEU A 57 -0.966 -3.165 3.813 1.00 0.00 O ATOM 827 CB LEU A 57 -4.100 -3.607 3.028 1.00 0.00 C ATOM 828 CG LEU A 57 -5.056 -4.741 3.398 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.956 -5.086 2.221 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.278 -5.967 3.853 1.00 0.00 C ATOM 0 H LEU A 57 -4.946 -1.636 4.251 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.161 -3.724 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.672 -2.826 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.379 -3.988 2.305 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.684 -4.406 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.630 -5.895 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.540 -4.209 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.344 -5.401 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.975 -6.764 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.625 -6.303 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.676 -5.713 4.726 1.00 0.00 H new ATOM 842 N LYS A 58 -1.961 -1.257 3.158 1.00 0.00 N ATOM 843 CA LYS A 58 -0.730 -0.658 2.655 1.00 0.00 C ATOM 844 C LYS A 58 0.150 -0.177 3.804 1.00 0.00 C ATOM 845 O LYS A 58 1.363 -0.386 3.798 1.00 0.00 O ATOM 846 CB LYS A 58 -1.052 0.511 1.722 1.00 0.00 C ATOM 847 CG LYS A 58 0.175 1.119 1.063 1.00 0.00 C ATOM 848 CD LYS A 58 0.788 2.210 1.924 1.00 0.00 C ATOM 849 CE LYS A 58 0.067 3.537 1.739 1.00 0.00 C ATOM 850 NZ LYS A 58 -1.076 3.684 2.682 1.00 0.00 N ATOM 0 H LYS A 58 -2.788 -0.669 3.056 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.186 -1.421 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.738 0.168 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.571 1.285 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.915 0.340 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.099 1.532 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.745 1.915 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.841 2.328 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.770 4.356 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.296 3.613 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.163 4.680 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.954 3.381 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.911 3.094 3.522 1.00 0.00 H new ATOM 864 N GLN A 59 -0.469 0.465 4.790 1.00 0.00 N ATOM 865 CA GLN A 59 0.259 0.974 5.946 1.00 0.00 C ATOM 866 C GLN A 59 1.141 -0.112 6.555 1.00 0.00 C ATOM 867 O GLN A 59 2.294 0.136 6.905 1.00 0.00 O ATOM 868 CB GLN A 59 -0.717 1.504 6.997 1.00 0.00 C ATOM 869 CG GLN A 59 -1.266 2.885 6.676 1.00 0.00 C ATOM 870 CD GLN A 59 -1.865 3.571 7.888 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.208 3.722 8.918 1.00 0.00 O ATOM 872 NE2 GLN A 59 -3.119 3.992 7.770 1.00 0.00 N ATOM 0 H GLN A 59 -1.473 0.645 4.811 1.00 0.00 H new ATOM 0 HA GLN A 59 0.899 1.790 5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.548 0.805 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.214 1.538 7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.466 3.505 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.026 2.798 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.626 3.846 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.575 4.462 8.552 1.00 0.00 H new ATOM 881 N GLU A 60 0.589 -1.315 6.678 1.00 0.00 N ATOM 882 CA GLU A 60 1.326 -2.438 7.247 1.00 0.00 C ATOM 883 C GLU A 60 2.460 -2.868 6.322 1.00 0.00 C ATOM 884 O GLU A 60 3.545 -3.231 6.778 1.00 0.00 O ATOM 885 CB GLU A 60 0.385 -3.617 7.501 1.00 0.00 C ATOM 886 CG GLU A 60 -0.274 -4.153 6.241 1.00 0.00 C ATOM 887 CD GLU A 60 -0.817 -5.558 6.419 1.00 0.00 C ATOM 888 OE1 GLU A 60 -1.426 -5.830 7.474 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.632 -6.385 5.501 1.00 0.00 O ATOM 0 H GLU A 60 -0.365 -1.537 6.392 1.00 0.00 H new ATOM 0 HA GLU A 60 1.756 -2.115 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.945 -4.421 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.390 -3.308 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.087 -3.488 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.450 -4.148 5.426 1.00 0.00 H new ATOM 896 N HIS A 61 2.202 -2.825 5.018 1.00 0.00 N ATOM 897 CA HIS A 61 3.201 -3.210 4.028 1.00 0.00 C ATOM 898 C HIS A 61 4.377 -2.238 4.035 1.00 0.00 C ATOM 899 O HIS A 61 5.529 -2.644 4.179 1.00 0.00 O ATOM 900 CB HIS A 61 2.575 -3.261 2.634 1.00 0.00 C ATOM 901 CG HIS A 61 3.575 -3.159 1.524 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.265 -4.246 1.030 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.999 -2.090 0.809 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.072 -3.850 0.062 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.929 -2.546 -0.093 1.00 0.00 N ATOM 0 H HIS A 61 1.310 -2.527 4.623 1.00 0.00 H new ATOM 0 HA HIS A 61 3.571 -4.202 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.020 -4.193 2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.854 -2.449 2.538 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.167 -5.206 1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.668 -1.069 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.736 -4.485 -0.506 1.00 0.00 H new ATOM 913 N GLU A 62 4.076 -0.952 3.878 1.00 0.00 N ATOM 914 CA GLU A 62 5.109 0.077 3.865 1.00 0.00 C ATOM 915 C GLU A 62 6.216 -0.251 4.863 1.00 0.00 C ATOM 916 O GLU A 62 7.400 -0.082 4.571 1.00 0.00 O ATOM 917 CB GLU A 62 4.503 1.444 4.190 1.00 0.00 C ATOM 918 CG GLU A 62 4.105 2.241 2.960 1.00 0.00 C ATOM 919 CD GLU A 62 3.153 3.377 3.283 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.268 3.182 4.142 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.293 4.459 2.677 1.00 0.00 O ATOM 0 H GLU A 62 3.127 -0.599 3.758 1.00 0.00 H new ATOM 0 HA GLU A 62 5.542 0.108 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.625 1.302 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.222 2.022 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.001 2.646 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.637 1.574 2.236 1.00 0.00 H new ATOM 928 N SER A 63 5.822 -0.720 6.043 1.00 0.00 N ATOM 929 CA SER A 63 6.779 -1.067 7.086 1.00 0.00 C ATOM 930 C SER A 63 7.758 -2.129 6.594 1.00 0.00 C ATOM 931 O SER A 63 8.970 -2.005 6.773 1.00 0.00 O ATOM 932 CB SER A 63 6.048 -1.570 8.332 1.00 0.00 C ATOM 933 OG SER A 63 6.946 -2.190 9.236 1.00 0.00 O ATOM 0 H SER A 63 4.846 -0.868 6.300 1.00 0.00 H new ATOM 0 HA SER A 63 7.342 -0.169 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.548 -0.736 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.273 -2.279 8.041 1.00 0.00 H new ATOM 0 HG SER A 63 6.454 -2.501 10.024 1.00 0.00 H new ATOM 939 N LYS A 64 7.223 -3.174 5.972 1.00 0.00 N ATOM 940 CA LYS A 64 8.047 -4.259 5.451 1.00 0.00 C ATOM 941 C LYS A 64 8.181 -4.161 3.935 1.00 0.00 C ATOM 942 O LYS A 64 8.392 -5.165 3.254 1.00 0.00 O ATOM 943 CB LYS A 64 7.445 -5.613 5.834 1.00 0.00 C ATOM 944 CG LYS A 64 6.001 -5.783 5.394 1.00 0.00 C ATOM 945 CD LYS A 64 5.032 -5.393 6.497 1.00 0.00 C ATOM 946 CE LYS A 64 4.945 -6.469 7.568 1.00 0.00 C ATOM 947 NZ LYS A 64 4.426 -5.930 8.856 1.00 0.00 N ATOM 0 H LYS A 64 6.222 -3.293 5.816 1.00 0.00 H new ATOM 0 HA LYS A 64 9.040 -4.172 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.047 -6.407 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.503 -5.734 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.814 -5.171 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.827 -6.820 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.352 -4.454 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.044 -5.222 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.295 -7.273 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.932 -6.903 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.382 -6.695 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.060 -5.180 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.474 -5.539 8.710 1.00 0.00 H new ATOM 961 N CYS A 65 8.058 -2.945 3.412 1.00 0.00 N ATOM 962 CA CYS A 65 8.166 -2.715 1.976 1.00 0.00 C ATOM 963 C CYS A 65 9.619 -2.811 1.518 1.00 0.00 C ATOM 964 O CYS A 65 10.519 -2.268 2.158 1.00 0.00 O ATOM 965 CB CYS A 65 7.596 -1.343 1.614 1.00 0.00 C ATOM 966 SG CYS A 65 7.844 -0.871 -0.128 1.00 0.00 S ATOM 0 H CYS A 65 7.883 -2.104 3.962 1.00 0.00 H new ATOM 0 HA CYS A 65 7.590 -3.487 1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.528 -1.336 1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.057 -0.590 2.253 1.00 0.00 H new ATOM 971 N GLU A 66 9.838 -3.506 0.406 1.00 0.00 N ATOM 972 CA GLU A 66 11.181 -3.673 -0.137 1.00 0.00 C ATOM 973 C GLU A 66 11.737 -2.342 -0.634 1.00 0.00 C ATOM 974 O GLU A 66 12.904 -2.021 -0.408 1.00 0.00 O ATOM 975 CB GLU A 66 11.170 -4.692 -1.279 1.00 0.00 C ATOM 976 CG GLU A 66 10.257 -4.305 -2.430 1.00 0.00 C ATOM 977 CD GLU A 66 9.698 -5.511 -3.161 1.00 0.00 C ATOM 978 OE1 GLU A 66 10.501 -6.308 -3.689 1.00 0.00 O ATOM 979 OE2 GLU A 66 8.458 -5.656 -3.205 1.00 0.00 O ATOM 0 H GLU A 66 9.104 -3.962 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 66 11.825 -4.040 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.185 -4.813 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.858 -5.660 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.433 -3.702 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.809 -3.682 -3.134 1.00 0.00 H new ATOM 986 N TYR A 67 10.893 -1.571 -1.311 1.00 0.00 N ATOM 987 CA TYR A 67 11.300 -0.276 -1.842 1.00 0.00 C ATOM 988 C TYR A 67 11.618 0.700 -0.714 1.00 0.00 C ATOM 989 O TYR A 67 12.528 1.522 -0.826 1.00 0.00 O ATOM 990 CB TYR A 67 10.200 0.301 -2.735 1.00 0.00 C ATOM 991 CG TYR A 67 10.284 -0.159 -4.173 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.984 -1.469 -4.523 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.663 0.718 -5.182 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.060 -1.894 -5.835 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.741 0.303 -6.497 1.00 0.00 C ATOM 996 CZ TYR A 67 10.439 -1.004 -6.819 1.00 0.00 C ATOM 997 OH TYR A 67 10.515 -1.422 -8.128 1.00 0.00 O ATOM 0 H TYR A 67 9.923 -1.821 -1.505 1.00 0.00 H new ATOM 0 HA TYR A 67 12.202 -0.423 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.229 0.020 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.254 1.389 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.686 -2.168 -3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.901 1.742 -4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.824 -2.917 -6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.037 0.998 -7.269 1.00 0.00 H new ATOM 0 HH TYR A 67 10.795 -0.673 -8.695 1.00 0.00 H new ATOM 1007 N LYS A 68 10.862 0.604 0.374 1.00 0.00 N ATOM 1008 CA LYS A 68 11.063 1.475 1.526 1.00 0.00 C ATOM 1009 C LYS A 68 12.548 1.735 1.760 1.00 0.00 C ATOM 1010 O LYS A 68 12.989 2.883 1.800 1.00 0.00 O ATOM 1011 CB LYS A 68 10.440 0.853 2.777 1.00 0.00 C ATOM 1012 CG LYS A 68 10.814 1.568 4.064 1.00 0.00 C ATOM 1013 CD LYS A 68 9.820 2.668 4.400 1.00 0.00 C ATOM 1014 CE LYS A 68 10.063 3.233 5.790 1.00 0.00 C ATOM 1015 NZ LYS A 68 11.017 4.376 5.766 1.00 0.00 N ATOM 0 H LYS A 68 10.103 -0.069 0.482 1.00 0.00 H new ATOM 0 HA LYS A 68 10.574 2.427 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.355 0.856 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.751 -0.189 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.853 0.849 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.812 1.995 3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.897 3.467 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.805 2.274 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.116 3.560 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.453 2.448 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.749 4.232 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.464 4.435 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.505 5.260 5.962 1.00 0.00 H new ATOM 1029 N LYS A 69 13.314 0.660 1.913 1.00 0.00 N ATOM 1030 CA LYS A 69 14.750 0.771 2.140 1.00 0.00 C ATOM 1031 C LYS A 69 15.411 1.610 1.051 1.00 0.00 C ATOM 1032 O LYS A 69 16.166 2.539 1.341 1.00 0.00 O ATOM 1033 CB LYS A 69 15.389 -0.619 2.184 1.00 0.00 C ATOM 1034 CG LYS A 69 14.704 -1.572 3.149 1.00 0.00 C ATOM 1035 CD LYS A 69 15.233 -2.989 3.002 1.00 0.00 C ATOM 1036 CE LYS A 69 14.732 -3.641 1.722 1.00 0.00 C ATOM 1037 NZ LYS A 69 15.418 -4.936 1.455 1.00 0.00 N ATOM 0 H LYS A 69 12.964 -0.298 1.884 1.00 0.00 H new ATOM 0 HA LYS A 69 14.903 1.266 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.369 -1.051 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.437 -0.519 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.859 -1.229 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.629 -1.563 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.323 -2.973 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.923 -3.585 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.657 -3.808 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.893 -2.965 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.049 -5.349 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.441 -4.774 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.243 -5.590 2.244 1.00 0.00 H new ATOM 1051 N LEU A 70 15.120 1.279 -0.203 1.00 0.00 N ATOM 1052 CA LEU A 70 15.684 2.004 -1.336 1.00 0.00 C ATOM 1053 C LEU A 70 15.168 3.439 -1.376 1.00 0.00 C ATOM 1054 O LEU A 70 15.737 4.297 -2.053 1.00 0.00 O ATOM 1055 CB LEU A 70 15.343 1.290 -2.645 1.00 0.00 C ATOM 1056 CG LEU A 70 15.526 -0.228 -2.649 1.00 0.00 C ATOM 1057 CD1 LEU A 70 14.936 -0.834 -3.912 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.000 -0.587 -2.521 1.00 0.00 C ATOM 0 H LEU A 70 14.497 0.513 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 70 16.767 2.030 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.306 1.511 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.961 1.712 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 70 14.995 -0.641 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.076 -1.915 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.871 -0.607 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.437 -0.416 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.112 -1.671 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.552 -0.162 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.392 -0.186 -1.587 1.00 0.00 H new ATOM 1070 N THR A 71 14.087 3.694 -0.646 1.00 0.00 N ATOM 1071 CA THR A 71 13.494 5.025 -0.598 1.00 0.00 C ATOM 1072 C THR A 71 14.189 5.899 0.440 1.00 0.00 C ATOM 1073 O THR A 71 14.000 5.721 1.643 1.00 0.00 O ATOM 1074 CB THR A 71 11.990 4.958 -0.271 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.321 4.114 -1.215 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.369 6.347 -0.296 1.00 0.00 C ATOM 0 H THR A 71 13.604 2.996 -0.080 1.00 0.00 H new ATOM 0 HA THR A 71 13.625 5.465 -1.587 1.00 0.00 H new ATOM 0 HB THR A 71 11.876 4.544 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.677 3.203 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.307 6.275 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.861 6.979 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.494 6.783 -1.287 1.00 0.00 H new ATOM 1084 N CYS A 72 14.994 6.844 -0.034 1.00 0.00 N ATOM 1085 CA CYS A 72 15.718 7.747 0.853 1.00 0.00 C ATOM 1086 C CYS A 72 14.778 8.785 1.458 1.00 0.00 C ATOM 1087 O CYS A 72 14.560 9.852 0.882 1.00 0.00 O ATOM 1088 CB CYS A 72 16.846 8.447 0.091 1.00 0.00 C ATOM 1089 SG CYS A 72 17.767 9.666 1.083 1.00 0.00 S ATOM 0 H CYS A 72 15.161 7.004 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 72 16.147 7.156 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.542 7.694 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.425 8.947 -0.781 1.00 0.00 H new ATOM 1094 N LEU A 73 14.224 8.466 2.622 1.00 0.00 N ATOM 1095 CA LEU A 73 13.307 9.371 3.306 1.00 0.00 C ATOM 1096 C LEU A 73 13.901 10.771 3.412 1.00 0.00 C ATOM 1097 O LEU A 73 13.201 11.768 3.233 1.00 0.00 O ATOM 1098 CB LEU A 73 12.979 8.836 4.702 1.00 0.00 C ATOM 1099 CG LEU A 73 12.474 7.395 4.767 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.259 6.969 6.211 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.188 7.243 3.968 1.00 0.00 C ATOM 0 H LEU A 73 14.394 7.588 3.112 1.00 0.00 H new ATOM 0 HA LEU A 73 12.389 9.430 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.874 8.914 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.226 9.484 5.150 1.00 0.00 H new ATOM 0 HG LEU A 73 13.231 6.746 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.899 5.940 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.201 7.038 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.522 7.623 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.844 6.210 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.424 7.904 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.374 7.506 2.927 1.00 0.00 H new ATOM 1113 N GLU A 74 15.197 10.838 3.703 1.00 0.00 N ATOM 1114 CA GLU A 74 15.885 12.118 3.831 1.00 0.00 C ATOM 1115 C GLU A 74 15.429 13.092 2.748 1.00 0.00 C ATOM 1116 O GLU A 74 14.835 14.130 3.041 1.00 0.00 O ATOM 1117 CB GLU A 74 17.399 11.918 3.747 1.00 0.00 C ATOM 1118 CG GLU A 74 18.188 12.852 4.649 1.00 0.00 C ATOM 1119 CD GLU A 74 17.988 14.313 4.294 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.406 14.589 3.225 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.415 15.179 5.086 1.00 0.00 O ATOM 0 H GLU A 74 15.791 10.022 3.854 1.00 0.00 H new ATOM 0 HA GLU A 74 15.634 12.540 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.636 10.887 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.720 12.066 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.889 12.689 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.248 12.607 4.581 1.00 0.00 H new ATOM 1128 N CYS A 75 15.710 12.749 1.495 1.00 0.00 N ATOM 1129 CA CYS A 75 15.331 13.592 0.368 1.00 0.00 C ATOM 1130 C CYS A 75 14.414 12.837 -0.590 1.00 0.00 C ATOM 1131 O CYS A 75 14.471 13.034 -1.804 1.00 0.00 O ATOM 1132 CB CYS A 75 16.577 14.076 -0.376 1.00 0.00 C ATOM 1133 SG CYS A 75 17.395 12.788 -1.372 1.00 0.00 S ATOM 0 H CYS A 75 16.199 11.893 1.235 1.00 0.00 H new ATOM 0 HA CYS A 75 14.791 14.455 0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 75 16.299 14.903 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 75 17.291 14.468 0.349 1.00 0.00 H new ATOM 1138 N MET A 76 13.568 11.975 -0.036 1.00 0.00 N ATOM 1139 CA MET A 76 12.638 11.192 -0.841 1.00 0.00 C ATOM 1140 C MET A 76 13.265 10.810 -2.178 1.00 0.00 C ATOM 1141 O MET A 76 12.702 11.083 -3.239 1.00 0.00 O ATOM 1142 CB MET A 76 11.347 11.979 -1.076 1.00 0.00 C ATOM 1143 CG MET A 76 10.540 12.215 0.190 1.00 0.00 C ATOM 1144 SD MET A 76 10.276 10.704 1.138 1.00 0.00 S ATOM 1145 CE MET A 76 9.800 9.568 -0.163 1.00 0.00 C ATOM 0 H MET A 76 13.507 11.801 0.967 1.00 0.00 H new ATOM 0 HA MET A 76 12.404 10.278 -0.295 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.594 12.941 -1.524 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.730 11.442 -1.796 1.00 0.00 H new ATOM 0 HG2 MET A 76 11.056 12.945 0.814 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.575 12.647 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.210 8.755 0.261 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.206 10.097 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.694 9.160 -0.635 1.00 0.00 H new ATOM 1155 N ARG A 77 14.431 10.176 -2.120 1.00 0.00 N ATOM 1156 CA ARG A 77 15.135 9.758 -3.327 1.00 0.00 C ATOM 1157 C ARG A 77 15.210 8.236 -3.412 1.00 0.00 C ATOM 1158 O ARG A 77 16.108 7.615 -2.841 1.00 0.00 O ATOM 1159 CB ARG A 77 16.544 10.352 -3.353 1.00 0.00 C ATOM 1160 CG ARG A 77 17.365 9.919 -4.557 1.00 0.00 C ATOM 1161 CD ARG A 77 17.200 10.886 -5.719 1.00 0.00 C ATOM 1162 NE ARG A 77 15.802 11.039 -6.110 1.00 0.00 N ATOM 1163 CZ ARG A 77 15.020 12.022 -5.676 1.00 0.00 C ATOM 1164 NH1 ARG A 77 15.499 12.934 -4.841 1.00 0.00 N ATOM 1165 NH2 ARG A 77 13.758 12.094 -6.077 1.00 0.00 N ATOM 0 H ARG A 77 14.909 9.940 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 77 14.578 10.126 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.471 11.440 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.069 10.062 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.417 9.859 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.059 8.920 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.607 11.858 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.778 10.530 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 77 15.403 10.354 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.469 12.882 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.897 13.688 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.386 11.394 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.159 12.849 -5.743 1.00 0.00 H new ATOM 1179 N THR A 78 14.262 7.640 -4.128 1.00 0.00 N ATOM 1180 CA THR A 78 14.220 6.192 -4.286 1.00 0.00 C ATOM 1181 C THR A 78 15.178 5.731 -5.378 1.00 0.00 C ATOM 1182 O THR A 78 15.488 6.480 -6.304 1.00 0.00 O ATOM 1183 CB THR A 78 12.799 5.706 -4.628 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.837 6.399 -3.824 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.671 4.207 -4.401 1.00 0.00 C ATOM 0 H THR A 78 13.513 8.138 -4.608 1.00 0.00 H new ATOM 0 HA THR A 78 14.525 5.760 -3.333 1.00 0.00 H new ATOM 0 HB THR A 78 12.611 5.916 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.936 6.085 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.659 3.887 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.384 3.681 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.878 3.978 -3.356 1.00 0.00 H new ATOM 1193 N PHE A 79 15.645 4.492 -5.264 1.00 0.00 N ATOM 1194 CA PHE A 79 16.570 3.930 -6.242 1.00 0.00 C ATOM 1195 C PHE A 79 16.102 2.553 -6.704 1.00 0.00 C ATOM 1196 O PHE A 79 15.047 2.072 -6.291 1.00 0.00 O ATOM 1197 CB PHE A 79 17.976 3.830 -5.647 1.00 0.00 C ATOM 1198 CG PHE A 79 18.625 5.165 -5.416 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.120 6.042 -4.470 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.742 5.542 -6.145 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.715 7.270 -4.256 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.342 6.770 -5.935 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.828 7.635 -4.988 1.00 0.00 C ATOM 0 H PHE A 79 15.398 3.858 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 79 16.595 4.595 -7.105 1.00 0.00 H new ATOM 0 HB2 PHE A 79 17.924 3.292 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.604 3.240 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.251 5.762 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.148 4.869 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.310 7.945 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.211 7.053 -6.510 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.295 8.594 -4.821 1.00 0.00 H new ATOM 1213 N LYS A 80 16.895 1.924 -7.565 1.00 0.00 N ATOM 1214 CA LYS A 80 16.565 0.602 -8.084 1.00 0.00 C ATOM 1215 C LYS A 80 17.135 -0.493 -7.188 1.00 0.00 C ATOM 1216 O LYS A 80 16.488 -1.513 -6.950 1.00 0.00 O ATOM 1217 CB LYS A 80 17.102 0.442 -9.508 1.00 0.00 C ATOM 1218 CG LYS A 80 16.436 -0.678 -10.288 1.00 0.00 C ATOM 1219 CD LYS A 80 16.820 -0.640 -11.757 1.00 0.00 C ATOM 1220 CE LYS A 80 16.119 -1.736 -12.545 1.00 0.00 C ATOM 1221 NZ LYS A 80 14.641 -1.561 -12.544 1.00 0.00 N ATOM 0 H LYS A 80 17.771 2.309 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 80 15.479 0.506 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.965 1.380 -10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.175 0.254 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.722 -1.639 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.353 -0.596 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.563 0.333 -12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.900 -0.754 -11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.484 -1.735 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.370 -2.707 -12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.217 -2.185 -13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.263 -1.804 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.408 -0.572 -12.765 1.00 0.00 H new ATOM 1235 N SER A 81 18.349 -0.273 -6.693 1.00 0.00 N ATOM 1236 CA SER A 81 19.007 -1.243 -5.825 1.00 0.00 C ATOM 1237 C SER A 81 19.518 -0.574 -4.553 1.00 0.00 C ATOM 1238 O SER A 81 19.706 0.642 -4.510 1.00 0.00 O ATOM 1239 CB SER A 81 20.166 -1.915 -6.563 1.00 0.00 C ATOM 1240 OG SER A 81 19.691 -2.786 -7.574 1.00 0.00 O ATOM 0 H SER A 81 18.896 0.568 -6.878 1.00 0.00 H new ATOM 0 HA SER A 81 18.275 -2.001 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.808 -1.154 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.777 -2.474 -5.854 1.00 0.00 H new ATOM 0 HG SER A 81 20.451 -3.201 -8.032 1.00 0.00 H new ATOM 1246 N SER A 82 19.742 -1.377 -3.518 1.00 0.00 N ATOM 1247 CA SER A 82 20.228 -0.864 -2.242 1.00 0.00 C ATOM 1248 C SER A 82 21.667 -0.374 -2.367 1.00 0.00 C ATOM 1249 O SER A 82 22.033 0.661 -1.810 1.00 0.00 O ATOM 1250 CB SER A 82 20.137 -1.946 -1.165 1.00 0.00 C ATOM 1251 OG SER A 82 18.886 -1.899 -0.500 1.00 0.00 O ATOM 0 H SER A 82 19.595 -2.386 -3.538 1.00 0.00 H new ATOM 0 HA SER A 82 19.599 -0.022 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.275 -2.928 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.942 -1.813 -0.442 1.00 0.00 H new ATOM 0 HG SER A 82 18.852 -2.601 0.183 1.00 0.00 H new ATOM 1257 N PHE A 83 22.480 -1.126 -3.102 1.00 0.00 N ATOM 1258 CA PHE A 83 23.880 -0.771 -3.300 1.00 0.00 C ATOM 1259 C PHE A 83 24.005 0.595 -3.969 1.00 0.00 C ATOM 1260 O PHE A 83 24.879 1.390 -3.624 1.00 0.00 O ATOM 1261 CB PHE A 83 24.583 -1.833 -4.148 1.00 0.00 C ATOM 1262 CG PHE A 83 26.052 -1.579 -4.330 1.00 0.00 C ATOM 1263 CD1 PHE A 83 26.972 -2.070 -3.418 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.513 -0.849 -5.414 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.324 -1.837 -3.583 1.00 0.00 C ATOM 1266 CE2 PHE A 83 27.864 -0.613 -5.584 1.00 0.00 C ATOM 1267 CZ PHE A 83 28.771 -1.108 -4.668 1.00 0.00 C ATOM 0 H PHE A 83 22.193 -1.985 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 83 24.358 -0.722 -2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 83 24.446 -2.808 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.106 -1.879 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 83 26.629 -2.641 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 83 25.808 -0.460 -6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.031 -2.225 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.210 -0.042 -6.433 1.00 0.00 H new ATOM 0 HZ PHE A 83 29.827 -0.926 -4.799 1.00 0.00 H new ATOM 1277 N SER A 84 23.125 0.860 -4.929 1.00 0.00 N ATOM 1278 CA SER A 84 23.138 2.127 -5.651 1.00 0.00 C ATOM 1279 C SER A 84 22.915 3.297 -4.698 1.00 0.00 C ATOM 1280 O SER A 84 23.789 4.147 -4.525 1.00 0.00 O ATOM 1281 CB SER A 84 22.064 2.129 -6.740 1.00 0.00 C ATOM 1282 OG SER A 84 22.178 3.275 -7.566 1.00 0.00 O ATOM 0 H SER A 84 22.393 0.214 -5.225 1.00 0.00 H new ATOM 0 HA SER A 84 24.117 2.242 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.156 1.228 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.076 2.105 -6.281 1.00 0.00 H new ATOM 0 HG SER A 84 21.481 3.252 -8.255 1.00 0.00 H new ATOM 1288 N ILE A 85 21.738 3.333 -4.081 1.00 0.00 N ATOM 1289 CA ILE A 85 21.400 4.398 -3.145 1.00 0.00 C ATOM 1290 C ILE A 85 22.463 4.536 -2.061 1.00 0.00 C ATOM 1291 O ILE A 85 22.759 5.640 -1.604 1.00 0.00 O ATOM 1292 CB ILE A 85 20.033 4.148 -2.479 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.734 5.243 -1.453 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.007 2.777 -1.822 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.322 5.195 -0.913 1.00 0.00 C ATOM 0 H ILE A 85 21.004 2.638 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 85 21.352 5.322 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 85 19.260 4.175 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.435 5.153 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.906 6.217 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.035 2.615 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.180 2.009 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.787 2.723 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.181 6.000 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.614 5.315 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.152 4.236 -0.425 1.00 0.00 H new ATOM 1307 N TRP A 86 23.036 3.408 -1.655 1.00 0.00 N ATOM 1308 CA TRP A 86 24.069 3.403 -0.626 1.00 0.00 C ATOM 1309 C TRP A 86 25.080 4.519 -0.864 1.00 0.00 C ATOM 1310 O TRP A 86 25.394 5.288 0.045 1.00 0.00 O ATOM 1311 CB TRP A 86 24.781 2.050 -0.596 1.00 0.00 C ATOM 1312 CG TRP A 86 25.753 1.915 0.538 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.510 2.162 1.859 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.121 1.503 0.449 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.646 1.928 2.596 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.648 1.522 1.755 1.00 0.00 C ATOM 1317 CE3 TRP A 86 27.952 1.118 -0.607 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.967 1.173 2.031 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.261 0.772 -0.331 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.758 0.800 0.979 1.00 0.00 C ATOM 0 H TRP A 86 22.803 2.486 -2.023 1.00 0.00 H new ATOM 0 HA TRP A 86 23.588 3.574 0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.036 1.257 -0.523 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.310 1.905 -1.538 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.565 2.492 2.264 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.730 2.039 3.607 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.578 1.091 -1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.352 1.196 3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 29.913 0.475 -1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.785 0.522 1.162 1.00 0.00 H new ATOM 1331 N ARG A 87 25.586 4.601 -2.090 1.00 0.00 N ATOM 1332 CA ARG A 87 26.563 5.623 -2.446 1.00 0.00 C ATOM 1333 C ARG A 87 25.952 7.017 -2.347 1.00 0.00 C ATOM 1334 O ARG A 87 26.618 7.971 -1.943 1.00 0.00 O ATOM 1335 CB ARG A 87 27.089 5.384 -3.862 1.00 0.00 C ATOM 1336 CG ARG A 87 27.744 4.025 -4.048 1.00 0.00 C ATOM 1337 CD ARG A 87 29.091 3.955 -3.344 1.00 0.00 C ATOM 1338 NE ARG A 87 30.081 4.828 -3.969 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.381 4.776 -3.699 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.844 3.897 -2.820 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.220 5.604 -4.308 1.00 0.00 N ATOM 0 H ARG A 87 25.336 3.972 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 87 27.393 5.558 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.264 5.480 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.811 6.163 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.088 3.247 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.877 3.826 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.968 4.236 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.454 2.927 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 87 29.757 5.515 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.202 3.259 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.842 3.859 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.867 6.281 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 87 33.218 5.563 -4.100 1.00 0.00 H new ATOM 1355 N HIS A 88 24.681 7.128 -2.719 1.00 0.00 N ATOM 1356 CA HIS A 88 23.979 8.406 -2.672 1.00 0.00 C ATOM 1357 C HIS A 88 23.829 8.891 -1.233 1.00 0.00 C ATOM 1358 O HIS A 88 23.616 10.078 -0.988 1.00 0.00 O ATOM 1359 CB HIS A 88 22.603 8.281 -3.326 1.00 0.00 C ATOM 1360 CG HIS A 88 21.647 9.360 -2.920 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.584 10.586 -3.548 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.709 9.390 -1.945 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.651 11.325 -2.975 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.105 10.622 -1.999 1.00 0.00 N ATOM 0 H HIS A 88 24.116 6.349 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 88 24.570 9.137 -3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.722 8.301 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.175 7.312 -3.070 1.00 0.00 H new ATOM 0 HD1 HIS A 88 22.167 10.877 -4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.478 8.593 -1.253 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.381 12.332 -3.256 1.00 0.00 H new ATOM 1372 N GLN A 89 23.942 7.965 -0.287 1.00 0.00 N ATOM 1373 CA GLN A 89 23.817 8.299 1.127 1.00 0.00 C ATOM 1374 C GLN A 89 25.189 8.503 1.761 1.00 0.00 C ATOM 1375 O GLN A 89 25.342 9.291 2.694 1.00 0.00 O ATOM 1376 CB GLN A 89 23.058 7.197 1.868 1.00 0.00 C ATOM 1377 CG GLN A 89 21.649 6.971 1.344 1.00 0.00 C ATOM 1378 CD GLN A 89 20.871 5.969 2.174 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.949 6.333 2.905 1.00 0.00 O ATOM 1380 NE2 GLN A 89 21.240 4.697 2.066 1.00 0.00 N ATOM 0 H GLN A 89 24.120 6.978 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 89 23.258 9.231 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.619 6.266 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 89 23.007 7.451 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.114 7.920 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.701 6.621 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 89 22.010 4.440 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.753 3.978 2.601 1.00 0.00 H new ATOM 1389 N VAL A 90 26.185 7.786 1.249 1.00 0.00 N ATOM 1390 CA VAL A 90 27.544 7.889 1.765 1.00 0.00 C ATOM 1391 C VAL A 90 28.314 9.004 1.067 1.00 0.00 C ATOM 1392 O VAL A 90 29.296 9.521 1.599 1.00 0.00 O ATOM 1393 CB VAL A 90 28.312 6.565 1.592 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.785 6.754 1.918 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.700 5.477 2.463 1.00 0.00 C ATOM 0 H VAL A 90 26.075 7.128 0.477 1.00 0.00 H new ATOM 0 HA VAL A 90 27.462 8.117 2.828 1.00 0.00 H new ATOM 0 HB VAL A 90 28.233 6.253 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 90 30.310 5.808 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 90 30.213 7.500 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.889 7.090 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 90 28.255 4.548 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.747 5.779 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.660 5.323 2.176 1.00 0.00 H new ATOM 1405 N GLU A 91 27.861 9.371 -0.127 1.00 0.00 N ATOM 1406 CA GLU A 91 28.508 10.426 -0.898 1.00 0.00 C ATOM 1407 C GLU A 91 27.849 11.777 -0.632 1.00 0.00 C ATOM 1408 O GLU A 91 28.521 12.807 -0.575 1.00 0.00 O ATOM 1409 CB GLU A 91 28.451 10.105 -2.393 1.00 0.00 C ATOM 1410 CG GLU A 91 29.282 8.895 -2.787 1.00 0.00 C ATOM 1411 CD GLU A 91 29.852 9.011 -4.188 1.00 0.00 C ATOM 1412 OE1 GLU A 91 29.093 9.378 -5.109 1.00 0.00 O ATOM 1413 OE2 GLU A 91 31.057 8.733 -4.362 1.00 0.00 O ATOM 0 H GLU A 91 27.049 8.954 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 91 29.551 10.481 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.414 9.932 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.797 10.972 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.098 8.772 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.665 7.999 -2.723 1.00 0.00 H new ATOM 1420 N VAL A 92 26.530 11.764 -0.471 1.00 0.00 N ATOM 1421 CA VAL A 92 25.779 12.986 -0.210 1.00 0.00 C ATOM 1422 C VAL A 92 25.511 13.160 1.280 1.00 0.00 C ATOM 1423 O VAL A 92 25.999 14.102 1.905 1.00 0.00 O ATOM 1424 CB VAL A 92 24.437 12.993 -0.966 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.736 14.332 -0.799 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.654 12.675 -2.438 1.00 0.00 C ATOM 0 H VAL A 92 25.959 10.920 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 92 26.392 13.815 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 92 23.796 12.220 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.790 14.317 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.546 14.514 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.369 15.126 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.696 12.684 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.313 13.423 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.109 11.689 -2.534 1.00 0.00 H new ATOM 1436 N HIS A 93 24.732 12.243 1.847 1.00 0.00 N ATOM 1437 CA HIS A 93 24.400 12.293 3.266 1.00 0.00 C ATOM 1438 C HIS A 93 25.533 11.718 4.110 1.00 0.00 C ATOM 1439 O HIS A 93 25.453 11.689 5.337 1.00 0.00 O ATOM 1440 CB HIS A 93 23.106 11.525 3.536 1.00 0.00 C ATOM 1441 CG HIS A 93 21.961 11.959 2.675 1.00 0.00 C ATOM 1442 ND1 HIS A 93 21.001 12.855 3.095 1.00 0.00 N ATOM 1443 CD2 HIS A 93 21.625 11.616 1.409 1.00 0.00 C ATOM 1444 CE1 HIS A 93 20.123 13.044 2.126 1.00 0.00 C ATOM 1445 NE2 HIS A 93 20.479 12.303 1.091 1.00 0.00 N ATOM 0 H HIS A 93 24.319 11.457 1.345 1.00 0.00 H new ATOM 0 HA HIS A 93 24.258 13.337 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.285 10.461 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.830 11.651 4.583 1.00 0.00 H new ATOM 0 HD1 HIS A 93 20.973 13.302 4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 93 22.159 10.930 0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 93 19.261 13.693 2.172 1.00 0.00 H new ATOM 1453 N ASN A 94 26.588 11.261 3.443 1.00 0.00 N ATOM 1454 CA ASN A 94 27.737 10.685 4.133 1.00 0.00 C ATOM 1455 C ASN A 94 27.300 9.943 5.392 1.00 0.00 C ATOM 1456 O ASN A 94 27.833 10.177 6.477 1.00 0.00 O ATOM 1457 CB ASN A 94 28.742 11.780 4.495 1.00 0.00 C ATOM 1458 CG ASN A 94 29.877 11.262 5.357 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.989 11.613 6.532 1.00 0.00 O ATOM 1460 ND2 ASN A 94 30.725 10.421 4.776 1.00 0.00 N ATOM 0 H ASN A 94 26.671 11.278 2.427 1.00 0.00 H new ATOM 0 HA ASN A 94 28.213 9.972 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 94 29.151 12.210 3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 94 28.226 12.583 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 94 31.508 10.038 5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 94 30.593 10.158 3.799 1.00 0.00 H new ATOM 1467 N GLN A 95 26.329 9.050 5.239 1.00 0.00 N ATOM 1468 CA GLN A 95 25.820 8.274 6.365 1.00 0.00 C ATOM 1469 C GLN A 95 26.075 6.784 6.158 1.00 0.00 C ATOM 1470 O GLN A 95 25.493 6.163 5.271 1.00 0.00 O ATOM 1471 CB GLN A 95 24.323 8.527 6.551 1.00 0.00 C ATOM 1472 CG GLN A 95 24.013 9.666 7.508 1.00 0.00 C ATOM 1473 CD GLN A 95 24.510 9.398 8.915 1.00 0.00 C ATOM 1474 OE1 GLN A 95 23.770 8.899 9.763 1.00 0.00 O ATOM 1475 NE2 GLN A 95 25.770 9.729 9.171 1.00 0.00 N ATOM 0 H GLN A 95 25.878 8.845 4.347 1.00 0.00 H new ATOM 0 HA GLN A 95 26.349 8.593 7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.877 8.747 5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.852 7.616 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.468 10.583 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.936 9.832 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 95 26.348 10.140 8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 95 26.160 9.572 10.100 1.00 0.00 H new ATOM 1484 N ASN A 96 26.949 6.219 6.984 1.00 0.00 N ATOM 1485 CA ASN A 96 27.282 4.802 6.892 1.00 0.00 C ATOM 1486 C ASN A 96 26.319 3.961 7.726 1.00 0.00 C ATOM 1487 O ASN A 96 26.739 3.088 8.484 1.00 0.00 O ATOM 1488 CB ASN A 96 28.720 4.562 7.357 1.00 0.00 C ATOM 1489 CG ASN A 96 28.893 4.800 8.844 1.00 0.00 C ATOM 1490 OD1 ASN A 96 28.946 5.942 9.300 1.00 0.00 O ATOM 1491 ND2 ASN A 96 28.983 3.718 9.609 1.00 0.00 N ATOM 0 H ASN A 96 27.440 6.720 7.725 1.00 0.00 H new ATOM 0 HA ASN A 96 27.190 4.501 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.010 3.538 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.392 5.220 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 96 29.101 3.815 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 96 28.934 2.790 9.188 1.00 0.00 H new ATOM 1498 N ASN A 97 25.026 4.232 7.578 1.00 0.00 N ATOM 1499 CA ASN A 97 24.004 3.501 8.318 1.00 0.00 C ATOM 1500 C ASN A 97 24.068 2.009 8.005 1.00 0.00 C ATOM 1501 O ASN A 97 24.929 1.560 7.248 1.00 0.00 O ATOM 1502 CB ASN A 97 22.614 4.044 7.980 1.00 0.00 C ATOM 1503 CG ASN A 97 22.170 5.133 8.938 1.00 0.00 C ATOM 1504 OD1 ASN A 97 22.366 5.027 10.149 1.00 0.00 O ATOM 1505 ND2 ASN A 97 21.569 6.187 8.398 1.00 0.00 N ATOM 0 H ASN A 97 24.662 4.951 6.953 1.00 0.00 H new ATOM 0 HA ASN A 97 24.193 3.640 9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 97 22.618 4.438 6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 97 21.892 3.227 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.249 6.951 8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.428 6.232 7.389 1.00 0.00 H new ATOM 1512 N MET A 98 23.151 1.246 8.592 1.00 0.00 N ATOM 1513 CA MET A 98 23.103 -0.195 8.374 1.00 0.00 C ATOM 1514 C MET A 98 23.148 -0.521 6.885 1.00 0.00 C ATOM 1515 O MET A 98 22.138 -0.426 6.188 1.00 0.00 O ATOM 1516 CB MET A 98 21.837 -0.784 8.999 1.00 0.00 C ATOM 1517 CG MET A 98 22.009 -1.186 10.455 1.00 0.00 C ATOM 1518 SD MET A 98 22.048 0.234 11.567 1.00 0.00 S ATOM 1519 CE MET A 98 23.813 0.487 11.731 1.00 0.00 C ATOM 0 H MET A 98 22.432 1.602 9.222 1.00 0.00 H new ATOM 0 HA MET A 98 23.976 -0.639 8.852 1.00 0.00 H new ATOM 0 HB2 MET A 98 21.031 -0.054 8.925 1.00 0.00 H new ATOM 0 HB3 MET A 98 21.530 -1.657 8.423 1.00 0.00 H new ATOM 0 HG2 MET A 98 21.192 -1.847 10.744 1.00 0.00 H new ATOM 0 HG3 MET A 98 22.933 -1.754 10.565 1.00 0.00 H new ATOM 0 HE1 MET A 98 24.102 0.370 12.775 1.00 0.00 H new ATOM 0 HE2 MET A 98 24.344 -0.246 11.123 1.00 0.00 H new ATOM 0 HE3 MET A 98 24.069 1.491 11.394 1.00 0.00 H new ATOM 1529 N ALA A 99 24.325 -0.906 6.403 1.00 0.00 N ATOM 1530 CA ALA A 99 24.501 -1.249 4.997 1.00 0.00 C ATOM 1531 C ALA A 99 24.293 -2.741 4.765 1.00 0.00 C ATOM 1532 O ALA A 99 24.426 -3.560 5.676 1.00 0.00 O ATOM 1533 CB ALA A 99 25.882 -0.825 4.519 1.00 0.00 C ATOM 0 H ALA A 99 25.172 -0.988 6.966 1.00 0.00 H new ATOM 0 HA ALA A 99 23.748 -0.711 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 99 26.000 -1.087 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 99 25.994 0.253 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 99 26.644 -1.336 5.108 1.00 0.00 H new ATOM 1539 N PRO A 100 23.959 -3.107 3.519 1.00 0.00 N ATOM 1540 CA PRO A 100 23.726 -4.503 3.139 1.00 0.00 C ATOM 1541 C PRO A 100 25.010 -5.327 3.141 1.00 0.00 C ATOM 1542 O PRO A 100 25.616 -5.554 2.094 1.00 0.00 O ATOM 1543 CB PRO A 100 23.163 -4.395 1.719 1.00 0.00 C ATOM 1544 CG PRO A 100 23.694 -3.105 1.198 1.00 0.00 C ATOM 1545 CD PRO A 100 23.784 -2.185 2.384 1.00 0.00 C ATOM 0 HA PRO A 100 23.062 -5.010 3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 100 23.484 -5.234 1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 100 22.073 -4.401 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 100 24.672 -3.243 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 100 23.036 -2.693 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 100 24.623 -1.495 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 100 22.884 -1.580 2.493 1.00 0.00 H new ATOM 1553 N THR A 101 25.419 -5.772 4.325 1.00 0.00 N ATOM 1554 CA THR A 101 26.631 -6.570 4.464 1.00 0.00 C ATOM 1555 C THR A 101 27.729 -6.069 3.533 1.00 0.00 C ATOM 1556 O THR A 101 28.435 -6.860 2.908 1.00 0.00 O ATOM 1557 CB THR A 101 26.361 -8.057 4.167 1.00 0.00 C ATOM 1558 OG1 THR A 101 25.850 -8.207 2.837 1.00 0.00 O ATOM 1559 CG2 THR A 101 25.370 -8.638 5.165 1.00 0.00 C ATOM 0 H THR A 101 24.929 -5.593 5.201 1.00 0.00 H new ATOM 0 HA THR A 101 26.960 -6.467 5.498 1.00 0.00 H new ATOM 0 HB THR A 101 27.303 -8.599 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.683 -9.155 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 101 25.195 -9.689 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 101 25.775 -8.550 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 101 24.429 -8.092 5.103 1.00 0.00 H new ATOM 1567 N SER A 102 27.868 -4.750 3.446 1.00 0.00 N ATOM 1568 CA SER A 102 28.879 -4.143 2.588 1.00 0.00 C ATOM 1569 C SER A 102 30.222 -4.848 2.749 1.00 0.00 C ATOM 1570 O SER A 102 30.828 -4.818 3.819 1.00 0.00 O ATOM 1571 CB SER A 102 29.029 -2.656 2.915 1.00 0.00 C ATOM 1572 OG SER A 102 28.149 -1.870 2.130 1.00 0.00 O ATOM 0 H SER A 102 27.293 -4.081 3.959 1.00 0.00 H new ATOM 0 HA SER A 102 28.554 -4.250 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 102 28.824 -2.491 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 102 30.058 -2.343 2.737 1.00 0.00 H new ATOM 0 HG SER A 102 28.501 -0.958 2.057 1.00 0.00 H new ATOM 1578 N GLY A 103 30.682 -5.484 1.675 1.00 0.00 N ATOM 1579 CA GLY A 103 31.950 -6.188 1.716 1.00 0.00 C ATOM 1580 C GLY A 103 33.018 -5.509 0.882 1.00 0.00 C ATOM 1581 O GLY A 103 32.832 -4.401 0.380 1.00 0.00 O ATOM 0 H GLY A 103 30.199 -5.524 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 103 32.290 -6.258 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.808 -7.208 1.358 1.00 0.00 H new ATOM 1585 N PRO A 104 34.169 -6.180 0.727 1.00 0.00 N ATOM 1586 CA PRO A 104 35.294 -5.653 -0.050 1.00 0.00 C ATOM 1587 C PRO A 104 34.999 -5.617 -1.546 1.00 0.00 C ATOM 1588 O PRO A 104 34.251 -6.448 -2.061 1.00 0.00 O ATOM 1589 CB PRO A 104 36.425 -6.641 0.248 1.00 0.00 C ATOM 1590 CG PRO A 104 35.734 -7.910 0.609 1.00 0.00 C ATOM 1591 CD PRO A 104 34.460 -7.506 1.297 1.00 0.00 C ATOM 0 HA PRO A 104 35.528 -4.623 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 104 37.072 -6.775 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 104 37.055 -6.287 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 104 35.526 -8.507 -0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 104 36.355 -8.520 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 104 33.655 -8.214 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 104 34.585 -7.460 2.379 1.00 0.00 H new ATOM 1599 N SER A 105 35.593 -4.650 -2.238 1.00 0.00 N ATOM 1600 CA SER A 105 35.391 -4.504 -3.675 1.00 0.00 C ATOM 1601 C SER A 105 36.455 -3.596 -4.284 1.00 0.00 C ATOM 1602 O SER A 105 36.807 -2.564 -3.712 1.00 0.00 O ATOM 1603 CB SER A 105 33.998 -3.939 -3.961 1.00 0.00 C ATOM 1604 OG SER A 105 33.544 -4.326 -5.246 1.00 0.00 O ATOM 0 H SER A 105 36.218 -3.956 -1.827 1.00 0.00 H new ATOM 0 HA SER A 105 35.476 -5.491 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 105 33.297 -4.290 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 105 34.022 -2.851 -3.893 1.00 0.00 H new ATOM 0 HG SER A 105 32.651 -3.954 -5.403 1.00 0.00 H new ATOM 1610 N SER A 106 36.963 -3.988 -5.448 1.00 0.00 N ATOM 1611 CA SER A 106 37.990 -3.213 -6.133 1.00 0.00 C ATOM 1612 C SER A 106 37.532 -1.773 -6.348 1.00 0.00 C ATOM 1613 O SER A 106 36.337 -1.480 -6.321 1.00 0.00 O ATOM 1614 CB SER A 106 38.333 -3.857 -7.478 1.00 0.00 C ATOM 1615 OG SER A 106 37.198 -3.900 -8.326 1.00 0.00 O ATOM 0 H SER A 106 36.680 -4.838 -5.936 1.00 0.00 H new ATOM 0 HA SER A 106 38.881 -3.203 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 106 39.131 -3.294 -7.962 1.00 0.00 H new ATOM 0 HB3 SER A 106 38.709 -4.867 -7.316 1.00 0.00 H new ATOM 0 HG SER A 106 37.443 -4.314 -9.180 1.00 0.00 H new ATOM 1621 N GLY A 107 38.492 -0.878 -6.562 1.00 0.00 N ATOM 1622 CA GLY A 107 38.168 0.519 -6.778 1.00 0.00 C ATOM 1623 C GLY A 107 37.583 0.773 -8.153 1.00 0.00 C ATOM 1624 O GLY A 107 36.406 0.487 -8.366 1.00 0.00 O ATOM 0 H GLY A 107 39.488 -1.096 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 107 37.458 0.846 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 107 39.068 1.121 -6.653 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -11.024 -3.817 -5.364 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 5.689 -0.497 -0.927 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 18.775 11.347 -0.174 1.00 0.00 ZN