USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -41:sc= -1.93! USER MOD Set 1.2: A 57 GLN : amide:sc= -0.431 K(o=-2.4,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-8.6e-05 X(o=-8.6e-05,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0791) USER MOD Single : A 27 THR OG1 : rot -88:sc= 0.669 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 108:sc= 1.05 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0.17 (180deg=0.169) USER MOD Single : A 44 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.0616 F(o=-1.3,f=-0.062) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 148:sc= -0.873 (180deg=-2.91!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -3.35! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 45:sc= 0.0629 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 170:sc= -0.719 (180deg=-1.03) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 29:sc= 0.0221 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.885 -13.291 -35.208 1.00 0.00 N ATOM 2 CA GLY A 1 31.698 -12.785 -35.876 1.00 0.00 C ATOM 3 C GLY A 1 31.165 -11.534 -35.176 1.00 0.00 C ATOM 4 O GLY A 1 31.372 -10.417 -35.650 1.00 0.00 O ATOM 0 H1 GLY A 1 33.226 -14.140 -35.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.627 -12.562 -35.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.653 -13.534 -34.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.932 -12.553 -36.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.927 -13.555 -35.888 1.00 0.00 H new ATOM 8 N SER A 2 30.491 -11.762 -34.059 1.00 0.00 N ATOM 9 CA SER A 2 29.927 -10.667 -33.288 1.00 0.00 C ATOM 10 C SER A 2 28.868 -9.935 -34.116 1.00 0.00 C ATOM 11 O SER A 2 29.131 -9.529 -35.247 1.00 0.00 O ATOM 12 CB SER A 2 31.016 -9.691 -32.838 1.00 0.00 C ATOM 13 OG SER A 2 30.469 -8.495 -32.291 1.00 0.00 O ATOM 0 H SER A 2 30.322 -12.689 -33.669 1.00 0.00 H new ATOM 0 HA SER A 2 29.459 -11.083 -32.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.650 -10.173 -32.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.653 -9.443 -33.687 1.00 0.00 H new ATOM 0 HG SER A 2 31.196 -7.899 -32.014 1.00 0.00 H new ATOM 19 N SER A 3 27.694 -9.789 -33.520 1.00 0.00 N ATOM 20 CA SER A 3 26.594 -9.114 -34.189 1.00 0.00 C ATOM 21 C SER A 3 25.415 -8.957 -33.227 1.00 0.00 C ATOM 22 O SER A 3 25.063 -9.894 -32.513 1.00 0.00 O ATOM 23 CB SER A 3 26.160 -9.875 -35.442 1.00 0.00 C ATOM 24 OG SER A 3 25.266 -10.942 -35.136 1.00 0.00 O ATOM 0 H SER A 3 27.480 -10.126 -32.581 1.00 0.00 H new ATOM 0 HA SER A 3 26.936 -8.127 -34.499 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.678 -9.186 -36.136 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.040 -10.273 -35.947 1.00 0.00 H new ATOM 0 HG SER A 3 25.011 -11.402 -35.963 1.00 0.00 H new ATOM 30 N GLY A 4 24.836 -7.765 -33.241 1.00 0.00 N ATOM 31 CA GLY A 4 23.702 -7.474 -32.379 1.00 0.00 C ATOM 32 C GLY A 4 23.359 -5.983 -32.410 1.00 0.00 C ATOM 33 O GLY A 4 24.226 -5.148 -32.661 1.00 0.00 O ATOM 0 H GLY A 4 25.130 -6.990 -33.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.838 -8.056 -32.699 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.930 -7.777 -31.357 1.00 0.00 H new ATOM 37 N SER A 5 22.092 -5.695 -32.152 1.00 0.00 N ATOM 38 CA SER A 5 21.623 -4.320 -32.147 1.00 0.00 C ATOM 39 C SER A 5 20.125 -4.279 -31.838 1.00 0.00 C ATOM 40 O SER A 5 19.375 -5.154 -32.269 1.00 0.00 O ATOM 41 CB SER A 5 21.908 -3.636 -33.485 1.00 0.00 C ATOM 42 OG SER A 5 22.487 -2.346 -33.313 1.00 0.00 O ATOM 0 H SER A 5 21.375 -6.391 -31.945 1.00 0.00 H new ATOM 0 HA SER A 5 22.162 -3.778 -31.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.580 -4.259 -34.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.980 -3.544 -34.050 1.00 0.00 H new ATOM 0 HG SER A 5 22.655 -1.943 -34.190 1.00 0.00 H new ATOM 48 N SER A 6 19.734 -3.255 -31.094 1.00 0.00 N ATOM 49 CA SER A 6 18.339 -3.088 -30.723 1.00 0.00 C ATOM 50 C SER A 6 18.129 -1.716 -30.081 1.00 0.00 C ATOM 51 O SER A 6 19.092 -1.005 -29.797 1.00 0.00 O ATOM 52 CB SER A 6 17.887 -4.196 -29.769 1.00 0.00 C ATOM 53 OG SER A 6 16.603 -4.708 -30.115 1.00 0.00 O ATOM 0 H SER A 6 20.359 -2.532 -30.738 1.00 0.00 H new ATOM 0 HA SER A 6 17.734 -3.155 -31.627 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.616 -5.006 -29.783 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.860 -3.809 -28.750 1.00 0.00 H new ATOM 0 HG SER A 6 16.351 -5.414 -29.484 1.00 0.00 H new ATOM 59 N GLY A 7 16.863 -1.383 -29.872 1.00 0.00 N ATOM 60 CA GLY A 7 16.514 -0.108 -29.268 1.00 0.00 C ATOM 61 C GLY A 7 15.677 -0.311 -28.004 1.00 0.00 C ATOM 62 O GLY A 7 15.248 -1.426 -27.711 1.00 0.00 O ATOM 0 H GLY A 7 16.067 -1.974 -30.110 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.422 0.443 -29.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.958 0.497 -29.984 1.00 0.00 H new ATOM 66 N ASP A 8 15.469 0.785 -27.289 1.00 0.00 N ATOM 67 CA ASP A 8 14.691 0.741 -26.062 1.00 0.00 C ATOM 68 C ASP A 8 14.172 2.145 -25.743 1.00 0.00 C ATOM 69 O ASP A 8 14.947 3.098 -25.681 1.00 0.00 O ATOM 70 CB ASP A 8 15.546 0.274 -24.883 1.00 0.00 C ATOM 71 CG ASP A 8 16.620 1.265 -24.430 1.00 0.00 C ATOM 72 OD1 ASP A 8 17.612 1.409 -25.177 1.00 0.00 O ATOM 73 OD2 ASP A 8 16.425 1.857 -23.346 1.00 0.00 O ATOM 0 H ASP A 8 15.825 1.708 -27.536 1.00 0.00 H new ATOM 0 HA ASP A 8 13.868 0.041 -26.209 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.889 0.062 -24.039 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.030 -0.664 -25.154 1.00 0.00 H new ATOM 78 N ALA A 9 12.864 2.227 -25.548 1.00 0.00 N ATOM 79 CA ALA A 9 12.232 3.498 -25.236 1.00 0.00 C ATOM 80 C ALA A 9 12.096 3.636 -23.719 1.00 0.00 C ATOM 81 O ALA A 9 11.848 2.653 -23.022 1.00 0.00 O ATOM 82 CB ALA A 9 10.884 3.587 -25.953 1.00 0.00 C ATOM 0 H ALA A 9 12.225 1.434 -25.600 1.00 0.00 H new ATOM 0 HA ALA A 9 12.844 4.328 -25.589 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.410 4.540 -25.719 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.039 3.513 -27.029 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.241 2.771 -25.622 1.00 0.00 H new ATOM 88 N GLY A 10 12.264 4.864 -23.251 1.00 0.00 N ATOM 89 CA GLY A 10 12.163 5.144 -21.829 1.00 0.00 C ATOM 90 C GLY A 10 11.917 6.633 -21.579 1.00 0.00 C ATOM 91 O GLY A 10 12.403 7.480 -22.327 1.00 0.00 O ATOM 0 H GLY A 10 12.470 5.677 -23.832 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.350 4.560 -21.397 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.080 4.834 -21.328 1.00 0.00 H new ATOM 95 N GLY A 11 11.163 6.907 -20.524 1.00 0.00 N ATOM 96 CA GLY A 11 10.847 8.280 -20.166 1.00 0.00 C ATOM 97 C GLY A 11 10.582 8.408 -18.665 1.00 0.00 C ATOM 98 O GLY A 11 10.079 7.476 -18.038 1.00 0.00 O ATOM 0 H GLY A 11 10.762 6.202 -19.906 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.672 8.933 -20.450 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.971 8.613 -20.723 1.00 0.00 H new ATOM 102 N GLY A 12 10.932 9.569 -18.131 1.00 0.00 N ATOM 103 CA GLY A 12 10.738 9.830 -16.715 1.00 0.00 C ATOM 104 C GLY A 12 11.865 10.704 -16.160 1.00 0.00 C ATOM 105 O GLY A 12 12.970 10.220 -15.922 1.00 0.00 O ATOM 0 H GLY A 12 11.349 10.339 -18.654 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.779 10.325 -16.561 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.701 8.887 -16.169 1.00 0.00 H new ATOM 109 N VAL A 13 11.546 11.976 -15.969 1.00 0.00 N ATOM 110 CA VAL A 13 12.517 12.921 -15.447 1.00 0.00 C ATOM 111 C VAL A 13 11.993 13.512 -14.137 1.00 0.00 C ATOM 112 O VAL A 13 11.037 14.286 -14.140 1.00 0.00 O ATOM 113 CB VAL A 13 12.831 13.985 -16.500 1.00 0.00 C ATOM 114 CG1 VAL A 13 13.664 15.120 -15.901 1.00 0.00 C ATOM 115 CG2 VAL A 13 13.535 13.368 -17.710 1.00 0.00 C ATOM 0 H VAL A 13 10.628 12.374 -16.167 1.00 0.00 H new ATOM 0 HA VAL A 13 13.458 12.418 -15.223 1.00 0.00 H new ATOM 0 HB VAL A 13 11.886 14.407 -16.842 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.873 15.863 -16.671 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.110 15.587 -15.087 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.603 14.720 -15.518 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.747 14.146 -18.443 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.469 12.906 -17.391 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.891 12.612 -18.159 1.00 0.00 H new ATOM 125 N GLY A 14 12.642 13.125 -13.048 1.00 0.00 N ATOM 126 CA GLY A 14 12.253 13.608 -11.734 1.00 0.00 C ATOM 127 C GLY A 14 12.683 12.628 -10.641 1.00 0.00 C ATOM 128 O GLY A 14 13.873 12.487 -10.361 1.00 0.00 O ATOM 0 H GLY A 14 13.434 12.483 -13.049 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.706 14.583 -11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.172 13.747 -11.699 1.00 0.00 H new ATOM 132 N LYS A 15 11.692 11.975 -10.052 1.00 0.00 N ATOM 133 CA LYS A 15 11.953 11.012 -8.996 1.00 0.00 C ATOM 134 C LYS A 15 11.125 9.750 -9.246 1.00 0.00 C ATOM 135 O LYS A 15 9.898 9.809 -9.306 1.00 0.00 O ATOM 136 CB LYS A 15 11.711 11.643 -7.623 1.00 0.00 C ATOM 137 CG LYS A 15 12.830 12.624 -7.266 1.00 0.00 C ATOM 138 CD LYS A 15 13.712 12.065 -6.147 1.00 0.00 C ATOM 139 CE LYS A 15 15.153 12.558 -6.288 1.00 0.00 C ATOM 140 NZ LYS A 15 15.556 13.330 -5.091 1.00 0.00 N ATOM 0 H LYS A 15 10.706 12.094 -10.286 1.00 0.00 H new ATOM 0 HA LYS A 15 13.001 10.713 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.753 12.162 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.652 10.862 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.438 12.824 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.399 13.575 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.313 12.368 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.692 10.975 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.823 11.709 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.245 13.181 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.537 13.657 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.928 14.151 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.487 12.725 -4.248 1.00 0.00 H new ATOM 154 N GLU A 16 11.830 8.637 -9.386 1.00 0.00 N ATOM 155 CA GLU A 16 11.176 7.362 -9.629 1.00 0.00 C ATOM 156 C GLU A 16 10.396 6.921 -8.389 1.00 0.00 C ATOM 157 O GLU A 16 10.943 6.883 -7.287 1.00 0.00 O ATOM 158 CB GLU A 16 12.191 6.296 -10.046 1.00 0.00 C ATOM 159 CG GLU A 16 11.977 5.875 -11.501 1.00 0.00 C ATOM 160 CD GLU A 16 13.315 5.666 -12.213 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.868 6.680 -12.690 1.00 0.00 O ATOM 162 OE2 GLU A 16 13.754 4.497 -12.265 1.00 0.00 O ATOM 0 H GLU A 16 12.848 8.592 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 16 10.472 7.488 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.202 6.683 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.099 5.427 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.395 4.954 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.398 6.637 -12.023 1.00 0.00 H new ATOM 169 N LEU A 17 9.129 6.599 -8.609 1.00 0.00 N ATOM 170 CA LEU A 17 8.268 6.163 -7.523 1.00 0.00 C ATOM 171 C LEU A 17 9.059 5.245 -6.589 1.00 0.00 C ATOM 172 O LEU A 17 9.991 4.567 -7.020 1.00 0.00 O ATOM 173 CB LEU A 17 6.991 5.526 -8.075 1.00 0.00 C ATOM 174 CG LEU A 17 6.171 6.391 -9.034 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.222 7.864 -8.624 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.621 6.182 -10.481 1.00 0.00 C ATOM 0 H LEU A 17 8.679 6.632 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 17 7.940 7.017 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.262 4.604 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.355 5.247 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 17 5.129 6.076 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.631 8.457 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.816 7.976 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.255 8.210 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.022 6.808 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.672 6.453 -10.578 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.490 5.135 -10.755 1.00 0.00 H new ATOM 188 N VAL A 18 8.658 5.252 -5.326 1.00 0.00 N ATOM 189 CA VAL A 18 9.318 4.428 -4.327 1.00 0.00 C ATOM 190 C VAL A 18 8.677 3.039 -4.313 1.00 0.00 C ATOM 191 O VAL A 18 7.459 2.912 -4.434 1.00 0.00 O ATOM 192 CB VAL A 18 9.271 5.121 -2.963 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.843 5.545 -2.612 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.861 4.225 -1.873 1.00 0.00 C ATOM 0 H VAL A 18 7.885 5.815 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 18 10.371 4.298 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 18 9.882 6.022 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.838 6.035 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.473 6.237 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.200 4.665 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.816 4.741 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.289 3.299 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.899 3.996 -2.113 1.00 0.00 H new ATOM 204 N ASP A 19 9.525 2.032 -4.166 1.00 0.00 N ATOM 205 CA ASP A 19 9.057 0.657 -4.135 1.00 0.00 C ATOM 206 C ASP A 19 8.505 0.342 -2.744 1.00 0.00 C ATOM 207 O ASP A 19 9.165 0.598 -1.738 1.00 0.00 O ATOM 208 CB ASP A 19 10.198 -0.320 -4.424 1.00 0.00 C ATOM 209 CG ASP A 19 10.594 -0.434 -5.897 1.00 0.00 C ATOM 210 OD1 ASP A 19 11.449 0.374 -6.319 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.033 -1.327 -6.569 1.00 0.00 O ATOM 0 H ASP A 19 10.534 2.141 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 19 8.286 0.546 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.073 -0.013 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.911 -1.308 -4.063 1.00 0.00 H new ATOM 216 N LEU A 20 7.301 -0.210 -2.731 1.00 0.00 N ATOM 217 CA LEU A 20 6.653 -0.564 -1.479 1.00 0.00 C ATOM 218 C LEU A 20 6.017 -1.949 -1.612 1.00 0.00 C ATOM 219 O LEU A 20 5.559 -2.325 -2.690 1.00 0.00 O ATOM 220 CB LEU A 20 5.666 0.528 -1.060 1.00 0.00 C ATOM 221 CG LEU A 20 6.260 1.921 -0.841 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.156 2.964 -0.656 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.248 1.918 0.327 1.00 0.00 C ATOM 0 H LEU A 20 6.757 -0.421 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 20 7.386 -0.626 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.891 0.601 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.177 0.214 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 20 6.819 2.199 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.605 3.945 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.526 2.988 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.550 2.702 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.656 2.920 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.734 1.610 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.059 1.222 0.115 1.00 0.00 H new ATOM 235 N LYS A 21 6.010 -2.671 -0.501 1.00 0.00 N ATOM 236 CA LYS A 21 5.438 -4.006 -0.479 1.00 0.00 C ATOM 237 C LYS A 21 4.071 -3.960 0.204 1.00 0.00 C ATOM 238 O LYS A 21 3.971 -3.607 1.379 1.00 0.00 O ATOM 239 CB LYS A 21 6.413 -4.996 0.161 1.00 0.00 C ATOM 240 CG LYS A 21 7.125 -5.832 -0.904 1.00 0.00 C ATOM 241 CD LYS A 21 8.622 -5.941 -0.606 1.00 0.00 C ATOM 242 CE LYS A 21 9.360 -6.637 -1.752 1.00 0.00 C ATOM 243 NZ LYS A 21 10.785 -6.236 -1.770 1.00 0.00 N ATOM 0 H LYS A 21 6.392 -2.356 0.391 1.00 0.00 H new ATOM 0 HA LYS A 21 5.274 -4.367 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.149 -4.454 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.874 -5.653 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.685 -6.828 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.978 -5.380 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.039 -4.946 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.773 -6.497 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.282 -7.718 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.892 -6.381 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.271 -6.717 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.854 -5.206 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.232 -6.502 -0.870 1.00 0.00 H new ATOM 257 N ILE A 22 3.050 -4.322 -0.559 1.00 0.00 N ATOM 258 CA ILE A 22 1.693 -4.326 -0.041 1.00 0.00 C ATOM 259 C ILE A 22 1.466 -5.602 0.773 1.00 0.00 C ATOM 260 O ILE A 22 0.964 -6.595 0.250 1.00 0.00 O ATOM 261 CB ILE A 22 0.685 -4.135 -1.177 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.121 -3.004 -2.111 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.725 -3.913 -0.628 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.773 -1.638 -1.518 1.00 0.00 C ATOM 0 H ILE A 22 3.136 -4.615 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 22 1.541 -3.484 0.635 1.00 0.00 H new ATOM 0 HB ILE A 22 0.659 -5.050 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.195 -3.066 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.634 -3.119 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.421 -3.780 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.025 -4.778 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.735 -3.023 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.094 -0.852 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.304 -1.571 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.281 -1.516 -0.562 1.00 0.00 H new ATOM 276 N ILE A 23 1.847 -5.532 2.040 1.00 0.00 N ATOM 277 CA ILE A 23 1.691 -6.669 2.932 1.00 0.00 C ATOM 278 C ILE A 23 0.246 -6.726 3.431 1.00 0.00 C ATOM 279 O ILE A 23 -0.276 -5.738 3.946 1.00 0.00 O ATOM 280 CB ILE A 23 2.728 -6.614 4.055 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.132 -6.377 3.494 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.663 -7.872 4.924 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.508 -7.460 2.481 1.00 0.00 C ATOM 0 H ILE A 23 2.263 -4.706 2.470 1.00 0.00 H new ATOM 0 HA ILE A 23 1.881 -7.601 2.399 1.00 0.00 H new ATOM 0 HB ILE A 23 2.491 -5.766 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.177 -5.398 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.856 -6.369 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.411 -7.807 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.671 -7.956 5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.861 -8.750 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.510 -7.268 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.486 -8.436 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.796 -7.449 1.656 1.00 0.00 H new ATOM 295 N TRP A 24 -0.359 -7.892 3.261 1.00 0.00 N ATOM 296 CA TRP A 24 -1.734 -8.091 3.689 1.00 0.00 C ATOM 297 C TRP A 24 -1.981 -9.597 3.800 1.00 0.00 C ATOM 298 O TRP A 24 -2.136 -10.280 2.789 1.00 0.00 O ATOM 299 CB TRP A 24 -2.710 -7.394 2.738 1.00 0.00 C ATOM 300 CG TRP A 24 -4.170 -7.458 3.189 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.644 -7.672 4.424 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.336 -7.299 2.352 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.024 -7.662 4.445 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.458 -7.427 3.145 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.438 -7.053 0.972 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.763 -7.326 2.649 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.749 -6.955 0.491 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.889 -7.082 1.276 1.00 0.00 C ATOM 0 H TRP A 24 0.077 -8.709 2.833 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.904 -7.637 4.665 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.418 -6.349 2.635 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.625 -7.847 1.750 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.024 -7.832 5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.616 -7.801 5.264 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.573 -6.948 0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.626 -7.431 3.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.884 -6.768 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.868 -6.993 0.829 1.00 0.00 H new ATOM 319 N ASN A 25 -2.010 -10.069 5.038 1.00 0.00 N ATOM 320 CA ASN A 25 -2.236 -11.481 5.294 1.00 0.00 C ATOM 321 C ASN A 25 -0.986 -12.272 4.906 1.00 0.00 C ATOM 322 O ASN A 25 -0.338 -12.876 5.760 1.00 0.00 O ATOM 323 CB ASN A 25 -3.407 -12.011 4.465 1.00 0.00 C ATOM 324 CG ASN A 25 -4.471 -12.648 5.362 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.323 -13.755 5.853 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.547 -11.890 5.547 1.00 0.00 N ATOM 0 H ASN A 25 -1.881 -9.499 5.874 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.462 -11.599 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.850 -11.196 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.045 -12.746 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.313 -12.226 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.606 -10.972 5.106 1.00 0.00 H new ATOM 333 N LYS A 26 -0.683 -12.244 3.616 1.00 0.00 N ATOM 334 CA LYS A 26 0.479 -12.951 3.104 1.00 0.00 C ATOM 335 C LYS A 26 0.619 -12.675 1.606 1.00 0.00 C ATOM 336 O LYS A 26 0.877 -13.589 0.824 1.00 0.00 O ATOM 337 CB LYS A 26 0.396 -14.439 3.451 1.00 0.00 C ATOM 338 CG LYS A 26 -0.836 -15.083 2.811 1.00 0.00 C ATOM 339 CD LYS A 26 -0.440 -16.276 1.938 1.00 0.00 C ATOM 340 CE LYS A 26 -0.818 -17.597 2.611 1.00 0.00 C ATOM 341 NZ LYS A 26 -0.119 -17.737 3.908 1.00 0.00 N ATOM 0 H LYS A 26 -1.222 -11.743 2.910 1.00 0.00 H new ATOM 0 HA LYS A 26 1.388 -12.586 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.297 -14.947 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.354 -14.562 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.525 -15.410 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.364 -14.345 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.935 -16.203 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.633 -16.253 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.896 -17.637 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.558 -18.431 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.264 -18.698 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.898 -17.568 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.499 -17.044 4.584 1.00 0.00 H new ATOM 355 N THR A 27 0.442 -11.411 1.251 1.00 0.00 N ATOM 356 CA THR A 27 0.546 -11.003 -0.140 1.00 0.00 C ATOM 357 C THR A 27 1.607 -9.912 -0.299 1.00 0.00 C ATOM 358 O THR A 27 1.758 -9.057 0.572 1.00 0.00 O ATOM 359 CB THR A 27 -0.844 -10.571 -0.611 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.404 -9.910 0.520 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.778 -11.760 -0.847 1.00 0.00 C ATOM 0 H THR A 27 0.227 -10.656 1.902 1.00 0.00 H new ATOM 0 HA THR A 27 0.877 -11.829 -0.770 1.00 0.00 H new ATOM 0 HB THR A 27 -0.752 -9.993 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.853 -10.566 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.751 -11.398 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.352 -12.411 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.897 -12.319 0.081 1.00 0.00 H new ATOM 369 N LYS A 28 2.315 -9.978 -1.417 1.00 0.00 N ATOM 370 CA LYS A 28 3.358 -9.007 -1.701 1.00 0.00 C ATOM 371 C LYS A 28 3.144 -8.431 -3.102 1.00 0.00 C ATOM 372 O LYS A 28 3.567 -9.025 -4.092 1.00 0.00 O ATOM 373 CB LYS A 28 4.740 -9.630 -1.496 1.00 0.00 C ATOM 374 CG LYS A 28 4.995 -9.926 -0.017 1.00 0.00 C ATOM 375 CD LYS A 28 4.966 -11.432 0.253 1.00 0.00 C ATOM 376 CE LYS A 28 6.165 -11.859 1.103 1.00 0.00 C ATOM 377 NZ LYS A 28 5.711 -12.425 2.393 1.00 0.00 N ATOM 0 H LYS A 28 2.187 -10.689 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 28 3.303 -8.173 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.817 -10.551 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.507 -8.953 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.962 -9.519 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.240 -9.429 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.040 -11.696 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.974 -11.975 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.756 -12.598 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.814 -11.002 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.537 -12.710 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.166 -11.709 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.110 -13.255 2.216 1.00 0.00 H new ATOM 391 N HIS A 29 2.488 -7.280 -3.140 1.00 0.00 N ATOM 392 CA HIS A 29 2.213 -6.617 -4.403 1.00 0.00 C ATOM 393 C HIS A 29 3.165 -5.432 -4.579 1.00 0.00 C ATOM 394 O HIS A 29 3.031 -4.417 -3.898 1.00 0.00 O ATOM 395 CB HIS A 29 0.741 -6.212 -4.495 1.00 0.00 C ATOM 396 CG HIS A 29 -0.223 -7.369 -4.370 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.097 -8.532 -5.109 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.327 -7.528 -3.586 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.087 -9.348 -4.776 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.848 -8.723 -3.833 1.00 0.00 N ATOM 0 H HIS A 29 2.139 -6.790 -2.316 1.00 0.00 H new ATOM 0 HA HIS A 29 2.392 -7.308 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.525 -5.486 -3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.571 -5.712 -5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.712 -6.804 -2.883 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.260 -10.334 -5.180 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.681 -9.111 -3.390 1.00 0.00 H new ATOM 408 N ASP A 30 4.107 -5.602 -5.495 1.00 0.00 N ATOM 409 CA ASP A 30 5.082 -4.560 -5.769 1.00 0.00 C ATOM 410 C ASP A 30 4.395 -3.405 -6.501 1.00 0.00 C ATOM 411 O ASP A 30 3.963 -3.558 -7.643 1.00 0.00 O ATOM 412 CB ASP A 30 6.210 -5.081 -6.662 1.00 0.00 C ATOM 413 CG ASP A 30 7.460 -5.551 -5.915 1.00 0.00 C ATOM 414 OD1 ASP A 30 7.501 -5.336 -4.685 1.00 0.00 O ATOM 415 OD2 ASP A 30 8.346 -6.116 -6.593 1.00 0.00 O ATOM 0 H ASP A 30 4.216 -6.446 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 30 5.499 -4.230 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.828 -5.910 -7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.496 -4.293 -7.358 1.00 0.00 H new ATOM 420 N VAL A 31 4.315 -2.275 -5.813 1.00 0.00 N ATOM 421 CA VAL A 31 3.688 -1.095 -6.384 1.00 0.00 C ATOM 422 C VAL A 31 4.652 0.089 -6.283 1.00 0.00 C ATOM 423 O VAL A 31 5.345 0.246 -5.279 1.00 0.00 O ATOM 424 CB VAL A 31 2.345 -0.833 -5.698 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.324 -1.913 -6.060 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.516 -0.725 -4.182 1.00 0.00 C ATOM 0 H VAL A 31 4.674 -2.152 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 31 3.473 -1.250 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 31 1.964 0.122 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.379 -1.703 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.169 -1.920 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.695 -2.887 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.547 -0.539 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.930 -1.656 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.193 0.097 -3.950 1.00 0.00 H new ATOM 436 N LYS A 32 4.665 0.891 -7.337 1.00 0.00 N ATOM 437 CA LYS A 32 5.533 2.055 -7.380 1.00 0.00 C ATOM 438 C LYS A 32 4.696 3.318 -7.165 1.00 0.00 C ATOM 439 O LYS A 32 3.897 3.691 -8.023 1.00 0.00 O ATOM 440 CB LYS A 32 6.347 2.070 -8.676 1.00 0.00 C ATOM 441 CG LYS A 32 5.560 2.730 -9.810 1.00 0.00 C ATOM 442 CD LYS A 32 6.108 2.310 -11.175 1.00 0.00 C ATOM 443 CE LYS A 32 5.009 2.334 -12.239 1.00 0.00 C ATOM 444 NZ LYS A 32 5.445 1.606 -13.452 1.00 0.00 N ATOM 0 H LYS A 32 4.088 0.758 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 32 6.264 2.015 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.282 2.608 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.610 1.050 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.508 2.454 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.613 3.814 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.917 2.980 -11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.532 1.308 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.101 1.880 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.765 3.365 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.687 1.632 -14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.299 2.056 -13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.656 0.618 -13.207 1.00 0.00 H new ATOM 458 N VAL A 33 4.908 3.941 -6.016 1.00 0.00 N ATOM 459 CA VAL A 33 4.183 5.154 -5.677 1.00 0.00 C ATOM 460 C VAL A 33 5.182 6.267 -5.355 1.00 0.00 C ATOM 461 O VAL A 33 6.309 5.995 -4.945 1.00 0.00 O ATOM 462 CB VAL A 33 3.206 4.878 -4.532 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.424 3.586 -4.779 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.936 4.829 -3.189 1.00 0.00 C ATOM 0 H VAL A 33 5.572 3.629 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 33 3.584 5.490 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 33 2.491 5.700 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.737 3.413 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.859 3.674 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.118 2.749 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.219 4.632 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.683 4.036 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.427 5.785 -3.007 1.00 0.00 H new ATOM 474 N PRO A 34 4.720 7.530 -5.558 1.00 0.00 N ATOM 475 CA PRO A 34 5.561 8.686 -5.294 1.00 0.00 C ATOM 476 C PRO A 34 5.690 8.937 -3.790 1.00 0.00 C ATOM 477 O PRO A 34 4.805 8.572 -3.017 1.00 0.00 O ATOM 478 CB PRO A 34 4.894 9.834 -6.033 1.00 0.00 C ATOM 479 CG PRO A 34 3.465 9.387 -6.296 1.00 0.00 C ATOM 480 CD PRO A 34 3.391 7.890 -6.042 1.00 0.00 C ATOM 0 HA PRO A 34 6.586 8.549 -5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.914 10.746 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.413 10.052 -6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.772 9.920 -5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.176 9.615 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.623 7.651 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.140 7.346 -6.953 1.00 0.00 H new ATOM 488 N LEU A 35 6.799 9.560 -3.420 1.00 0.00 N ATOM 489 CA LEU A 35 7.056 9.865 -2.022 1.00 0.00 C ATOM 490 C LEU A 35 6.349 11.170 -1.652 1.00 0.00 C ATOM 491 O LEU A 35 6.193 11.483 -0.472 1.00 0.00 O ATOM 492 CB LEU A 35 8.560 9.880 -1.745 1.00 0.00 C ATOM 493 CG LEU A 35 9.017 9.141 -0.485 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.806 7.632 -0.628 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.468 9.486 -0.143 1.00 0.00 C ATOM 0 H LEU A 35 7.530 9.862 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 35 6.645 9.086 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.072 9.445 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.886 10.918 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 35 8.401 9.475 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.139 7.130 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.748 7.426 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.381 7.263 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.768 8.948 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.115 9.198 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.556 10.559 0.030 1.00 0.00 H new ATOM 507 N ASP A 36 5.939 11.897 -2.681 1.00 0.00 N ATOM 508 CA ASP A 36 5.253 13.161 -2.478 1.00 0.00 C ATOM 509 C ASP A 36 3.824 12.890 -2.002 1.00 0.00 C ATOM 510 O ASP A 36 3.143 13.796 -1.525 1.00 0.00 O ATOM 511 CB ASP A 36 5.174 13.960 -3.780 1.00 0.00 C ATOM 512 CG ASP A 36 4.867 15.449 -3.608 1.00 0.00 C ATOM 513 OD1 ASP A 36 5.307 16.004 -2.577 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.199 16.000 -4.510 1.00 0.00 O ATOM 0 H ASP A 36 6.069 11.634 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 36 5.812 13.733 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.122 13.859 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.406 13.517 -4.414 1.00 0.00 H new ATOM 519 N SER A 37 3.413 11.639 -2.148 1.00 0.00 N ATOM 520 CA SER A 37 2.078 11.237 -1.739 1.00 0.00 C ATOM 521 C SER A 37 1.882 11.516 -0.247 1.00 0.00 C ATOM 522 O SER A 37 2.837 11.475 0.526 1.00 0.00 O ATOM 523 CB SER A 37 1.832 9.758 -2.039 1.00 0.00 C ATOM 524 OG SER A 37 2.502 9.335 -3.223 1.00 0.00 O ATOM 0 H SER A 37 3.981 10.890 -2.544 1.00 0.00 H new ATOM 0 HA SER A 37 1.355 11.820 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.171 9.156 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.761 9.583 -2.146 1.00 0.00 H new ATOM 0 HG SER A 37 3.258 8.760 -2.983 1.00 0.00 H new ATOM 530 N THR A 38 0.637 11.793 0.111 1.00 0.00 N ATOM 531 CA THR A 38 0.303 12.079 1.496 1.00 0.00 C ATOM 532 C THR A 38 -0.026 10.785 2.243 1.00 0.00 C ATOM 533 O THR A 38 -0.610 9.865 1.672 1.00 0.00 O ATOM 534 CB THR A 38 -0.841 13.094 1.507 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.939 12.387 0.938 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.604 14.255 0.539 1.00 0.00 C ATOM 0 H THR A 38 -0.153 11.826 -0.534 1.00 0.00 H new ATOM 0 HA THR A 38 1.150 12.517 2.025 1.00 0.00 H new ATOM 0 HB THR A 38 -0.969 13.484 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.725 12.972 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.446 14.946 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.311 14.778 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.508 13.869 -0.476 1.00 0.00 H new ATOM 544 N GLY A 39 0.363 10.754 3.509 1.00 0.00 N ATOM 545 CA GLY A 39 0.117 9.588 4.340 1.00 0.00 C ATOM 546 C GLY A 39 -1.343 9.143 4.241 1.00 0.00 C ATOM 547 O GLY A 39 -1.665 7.990 4.525 1.00 0.00 O ATOM 0 H GLY A 39 0.847 11.518 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.771 8.773 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.361 9.818 5.377 1.00 0.00 H new ATOM 551 N SER A 40 -2.189 10.080 3.838 1.00 0.00 N ATOM 552 CA SER A 40 -3.607 9.799 3.698 1.00 0.00 C ATOM 553 C SER A 40 -3.863 9.034 2.399 1.00 0.00 C ATOM 554 O SER A 40 -4.569 8.026 2.396 1.00 0.00 O ATOM 555 CB SER A 40 -4.430 11.089 3.725 1.00 0.00 C ATOM 556 OG SER A 40 -5.828 10.829 3.815 1.00 0.00 O ATOM 0 H SER A 40 -1.919 11.035 3.604 1.00 0.00 H new ATOM 0 HA SER A 40 -3.918 9.184 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.120 11.699 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.226 11.668 2.824 1.00 0.00 H new ATOM 0 HG SER A 40 -6.318 11.677 3.831 1.00 0.00 H new ATOM 562 N GLU A 41 -3.276 9.541 1.325 1.00 0.00 N ATOM 563 CA GLU A 41 -3.432 8.917 0.022 1.00 0.00 C ATOM 564 C GLU A 41 -3.155 7.415 0.115 1.00 0.00 C ATOM 565 O GLU A 41 -3.782 6.620 -0.583 1.00 0.00 O ATOM 566 CB GLU A 41 -2.521 9.579 -1.015 1.00 0.00 C ATOM 567 CG GLU A 41 -3.270 10.668 -1.786 1.00 0.00 C ATOM 568 CD GLU A 41 -2.564 10.989 -3.105 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.394 11.421 -3.032 1.00 0.00 O ATOM 570 OE2 GLU A 41 -3.211 10.794 -4.157 1.00 0.00 O ATOM 0 H GLU A 41 -2.691 10.377 1.330 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.462 9.057 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.653 10.012 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.148 8.827 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.290 10.341 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.338 11.569 -1.177 1.00 0.00 H new ATOM 577 N LEU A 42 -2.215 7.072 0.984 1.00 0.00 N ATOM 578 CA LEU A 42 -1.848 5.680 1.179 1.00 0.00 C ATOM 579 C LEU A 42 -3.110 4.815 1.147 1.00 0.00 C ATOM 580 O LEU A 42 -3.166 3.819 0.427 1.00 0.00 O ATOM 581 CB LEU A 42 -1.022 5.517 2.456 1.00 0.00 C ATOM 582 CG LEU A 42 0.496 5.618 2.291 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.160 6.066 3.595 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.079 4.302 1.773 1.00 0.00 C ATOM 0 H LEU A 42 -1.697 7.735 1.561 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.206 5.338 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.341 6.276 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.256 4.547 2.895 1.00 0.00 H new ATOM 0 HG LEU A 42 0.709 6.381 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.239 6.130 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.774 7.044 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.941 5.344 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.159 4.400 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.857 3.502 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.637 4.064 0.805 1.00 0.00 H new ATOM 596 N LYS A 43 -4.091 5.226 1.937 1.00 0.00 N ATOM 597 CA LYS A 43 -5.348 4.502 2.009 1.00 0.00 C ATOM 598 C LYS A 43 -5.830 4.185 0.592 1.00 0.00 C ATOM 599 O LYS A 43 -5.895 3.020 0.200 1.00 0.00 O ATOM 600 CB LYS A 43 -6.367 5.277 2.846 1.00 0.00 C ATOM 601 CG LYS A 43 -6.007 5.227 4.332 1.00 0.00 C ATOM 602 CD LYS A 43 -6.312 3.850 4.924 1.00 0.00 C ATOM 603 CE LYS A 43 -6.346 3.906 6.453 1.00 0.00 C ATOM 604 NZ LYS A 43 -7.604 4.529 6.921 1.00 0.00 N ATOM 0 H LYS A 43 -4.040 6.052 2.533 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.210 3.549 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.404 6.314 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.362 4.857 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.949 5.456 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.567 5.991 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.271 3.493 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.556 3.135 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.258 2.899 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.492 4.475 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.589 4.605 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.697 5.478 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.412 3.942 6.629 1.00 0.00 H new ATOM 618 N GLN A 44 -6.156 5.241 -0.138 1.00 0.00 N ATOM 619 CA GLN A 44 -6.630 5.090 -1.503 1.00 0.00 C ATOM 620 C GLN A 44 -5.535 4.482 -2.382 1.00 0.00 C ATOM 621 O GLN A 44 -5.811 3.997 -3.478 1.00 0.00 O ATOM 622 CB GLN A 44 -7.107 6.429 -2.070 1.00 0.00 C ATOM 623 CG GLN A 44 -8.185 7.049 -1.179 1.00 0.00 C ATOM 624 CD GLN A 44 -9.132 7.930 -1.996 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.429 7.664 -3.149 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.588 8.991 -1.336 1.00 0.00 N ATOM 0 H GLN A 44 -6.101 6.205 0.190 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.483 4.411 -1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.263 7.113 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.501 6.282 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.752 6.260 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.716 7.643 -0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.299 9.155 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.227 9.641 -1.794 1.00 0.00 H new ATOM 635 N LYS A 45 -4.315 4.527 -1.867 1.00 0.00 N ATOM 636 CA LYS A 45 -3.177 3.986 -2.591 1.00 0.00 C ATOM 637 C LYS A 45 -3.139 2.467 -2.412 1.00 0.00 C ATOM 638 O LYS A 45 -2.682 1.745 -3.297 1.00 0.00 O ATOM 639 CB LYS A 45 -1.887 4.688 -2.163 1.00 0.00 C ATOM 640 CG LYS A 45 -1.172 5.304 -3.367 1.00 0.00 C ATOM 641 CD LYS A 45 -2.117 6.206 -4.164 1.00 0.00 C ATOM 642 CE LYS A 45 -1.465 7.557 -4.461 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.211 7.702 -5.912 1.00 0.00 N ATOM 0 H LYS A 45 -4.090 4.930 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.278 4.179 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.117 5.466 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.227 3.974 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.312 5.882 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.790 4.512 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.390 5.717 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.039 6.359 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.112 8.363 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.528 7.644 -3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.768 8.625 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.575 6.943 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.111 7.640 -6.430 1.00 0.00 H new ATOM 657 N ILE A 46 -3.625 2.027 -1.260 1.00 0.00 N ATOM 658 CA ILE A 46 -3.652 0.607 -0.954 1.00 0.00 C ATOM 659 C ILE A 46 -5.009 0.028 -1.359 1.00 0.00 C ATOM 660 O ILE A 46 -5.078 -1.057 -1.935 1.00 0.00 O ATOM 661 CB ILE A 46 -3.297 0.369 0.515 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.088 1.210 0.930 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.081 -1.120 0.793 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.284 1.800 2.328 1.00 0.00 C ATOM 0 H ILE A 46 -4.003 2.629 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.894 0.079 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.140 0.692 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.189 0.594 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.936 2.014 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.830 -1.261 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.993 -1.670 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.266 -1.492 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.410 2.393 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.170 2.435 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.412 0.993 3.049 1.00 0.00 H new ATOM 676 N HIS A 47 -6.055 0.777 -1.043 1.00 0.00 N ATOM 677 CA HIS A 47 -7.406 0.352 -1.367 1.00 0.00 C ATOM 678 C HIS A 47 -7.532 0.150 -2.878 1.00 0.00 C ATOM 679 O HIS A 47 -8.392 -0.599 -3.339 1.00 0.00 O ATOM 680 CB HIS A 47 -8.434 1.341 -0.814 1.00 0.00 C ATOM 681 CG HIS A 47 -9.663 1.496 -1.678 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.610 0.589 -2.052 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -10.023 2.699 -2.260 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.501 1.204 -2.820 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -11.138 2.513 -2.950 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.994 1.676 -0.566 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.614 -0.605 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.740 1.014 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.959 2.315 -0.697 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.630 -0.396 -1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.486 3.631 -2.167 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.370 0.744 -3.268 1.00 0.00 H new ATOM 693 N SER A 48 -6.661 0.830 -3.609 1.00 0.00 N ATOM 694 CA SER A 48 -6.663 0.735 -5.058 1.00 0.00 C ATOM 695 C SER A 48 -6.090 -0.615 -5.495 1.00 0.00 C ATOM 696 O SER A 48 -6.240 -1.013 -6.649 1.00 0.00 O ATOM 697 CB SER A 48 -5.865 1.879 -5.687 1.00 0.00 C ATOM 698 OG SER A 48 -6.705 2.796 -6.383 1.00 0.00 O ATOM 0 H SER A 48 -5.948 1.450 -3.224 1.00 0.00 H new ATOM 0 HA SER A 48 -7.694 0.814 -5.404 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.316 2.409 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.126 1.470 -6.376 1.00 0.00 H new ATOM 0 HG SER A 48 -6.159 3.512 -6.769 1.00 0.00 H new ATOM 704 N ILE A 49 -5.444 -1.281 -4.549 1.00 0.00 N ATOM 705 CA ILE A 49 -4.847 -2.578 -4.821 1.00 0.00 C ATOM 706 C ILE A 49 -5.571 -3.650 -4.003 1.00 0.00 C ATOM 707 O ILE A 49 -6.154 -4.576 -4.565 1.00 0.00 O ATOM 708 CB ILE A 49 -3.337 -2.534 -4.579 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.776 -1.140 -4.864 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.621 -3.618 -5.387 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.265 -1.099 -4.631 1.00 0.00 C ATOM 0 H ILE A 49 -5.321 -0.947 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.970 -2.842 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.153 -2.744 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.996 -0.859 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.267 -0.408 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.549 -3.565 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.994 -4.598 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.809 -3.464 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.892 -0.097 -4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.050 -1.357 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.775 -1.814 -5.292 1.00 0.00 H new ATOM 723 N THR A 50 -5.510 -3.488 -2.690 1.00 0.00 N ATOM 724 CA THR A 50 -6.152 -4.430 -1.789 1.00 0.00 C ATOM 725 C THR A 50 -7.606 -4.660 -2.207 1.00 0.00 C ATOM 726 O THR A 50 -8.116 -5.775 -2.102 1.00 0.00 O ATOM 727 CB THR A 50 -6.007 -3.894 -0.363 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.500 -2.559 -0.442 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.545 -3.727 0.054 1.00 0.00 C ATOM 0 H THR A 50 -5.026 -2.718 -2.228 1.00 0.00 H new ATOM 0 HA THR A 50 -5.675 -5.409 -1.834 1.00 0.00 H new ATOM 0 HB THR A 50 -6.507 -4.569 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.187 -2.143 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.499 -3.344 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.040 -4.692 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.052 -3.026 -0.619 1.00 0.00 H new ATOM 737 N GLY A 51 -8.232 -3.589 -2.671 1.00 0.00 N ATOM 738 CA GLY A 51 -9.617 -3.661 -3.104 1.00 0.00 C ATOM 739 C GLY A 51 -10.571 -3.537 -1.915 1.00 0.00 C ATOM 740 O GLY A 51 -11.775 -3.357 -2.096 1.00 0.00 O ATOM 0 H GLY A 51 -7.806 -2.666 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.819 -2.866 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.792 -4.606 -3.618 1.00 0.00 H new ATOM 744 N LEU A 52 -9.998 -3.637 -0.725 1.00 0.00 N ATOM 745 CA LEU A 52 -10.783 -3.538 0.494 1.00 0.00 C ATOM 746 C LEU A 52 -10.977 -2.064 0.853 1.00 0.00 C ATOM 747 O LEU A 52 -10.327 -1.191 0.280 1.00 0.00 O ATOM 748 CB LEU A 52 -10.142 -4.364 1.612 1.00 0.00 C ATOM 749 CG LEU A 52 -9.332 -3.578 2.645 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.521 -4.160 4.048 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.856 -3.511 2.247 1.00 0.00 C ATOM 0 H LEU A 52 -9.000 -3.786 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.776 -3.963 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.930 -4.907 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.489 -5.109 1.158 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.707 -2.555 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.935 -3.583 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.575 -4.114 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.188 -5.198 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.302 -2.947 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.451 -4.521 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.762 -3.017 1.280 1.00 0.00 H new ATOM 763 N PRO A 53 -11.899 -1.825 1.824 1.00 0.00 N ATOM 764 CA PRO A 53 -12.187 -0.471 2.265 1.00 0.00 C ATOM 765 C PRO A 53 -11.062 0.068 3.152 1.00 0.00 C ATOM 766 O PRO A 53 -10.426 -0.689 3.883 1.00 0.00 O ATOM 767 CB PRO A 53 -13.519 -0.568 2.990 1.00 0.00 C ATOM 768 CG PRO A 53 -13.701 -2.038 3.332 1.00 0.00 C ATOM 769 CD PRO A 53 -12.688 -2.833 2.525 1.00 0.00 C ATOM 0 HA PRO A 53 -12.249 0.236 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.519 0.046 3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.333 -0.210 2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.553 -2.203 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.715 -2.362 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.061 -3.447 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.181 -3.507 1.825 1.00 0.00 H new ATOM 777 N PRO A 54 -10.845 1.407 3.055 1.00 0.00 N ATOM 778 CA PRO A 54 -9.808 2.056 3.839 1.00 0.00 C ATOM 779 C PRO A 54 -10.233 2.196 5.302 1.00 0.00 C ATOM 780 O PRO A 54 -9.400 2.122 6.204 1.00 0.00 O ATOM 781 CB PRO A 54 -9.578 3.394 3.156 1.00 0.00 C ATOM 782 CG PRO A 54 -10.809 3.643 2.300 1.00 0.00 C ATOM 783 CD PRO A 54 -11.578 2.335 2.199 1.00 0.00 C ATOM 0 HA PRO A 54 -8.884 1.478 3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.445 4.189 3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.676 3.370 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.432 4.419 2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.521 3.994 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.608 2.454 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.618 1.977 1.170 1.00 0.00 H new ATOM 791 N ALA A 55 -11.529 2.396 5.491 1.00 0.00 N ATOM 792 CA ALA A 55 -12.076 2.547 6.829 1.00 0.00 C ATOM 793 C ALA A 55 -11.703 1.323 7.669 1.00 0.00 C ATOM 794 O ALA A 55 -11.573 1.419 8.888 1.00 0.00 O ATOM 795 CB ALA A 55 -13.589 2.756 6.742 1.00 0.00 C ATOM 0 H ALA A 55 -12.216 2.457 4.740 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.654 3.424 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.999 2.869 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.799 3.654 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.048 1.894 6.258 1.00 0.00 H new ATOM 801 N MET A 56 -11.542 0.201 6.982 1.00 0.00 N ATOM 802 CA MET A 56 -11.187 -1.040 7.650 1.00 0.00 C ATOM 803 C MET A 56 -9.744 -1.438 7.335 1.00 0.00 C ATOM 804 O MET A 56 -9.415 -2.623 7.307 1.00 0.00 O ATOM 805 CB MET A 56 -12.135 -2.152 7.197 1.00 0.00 C ATOM 806 CG MET A 56 -13.142 -2.495 8.296 1.00 0.00 C ATOM 807 SD MET A 56 -12.429 -3.672 9.433 1.00 0.00 S ATOM 808 CE MET A 56 -13.097 -3.061 10.971 1.00 0.00 C ATOM 0 H MET A 56 -11.651 0.125 5.971 1.00 0.00 H new ATOM 0 HA MET A 56 -11.276 -0.891 8.726 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.665 -1.839 6.298 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.560 -3.040 6.935 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.431 -1.590 8.831 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.049 -2.908 7.854 1.00 0.00 H new ATOM 0 HE1 MET A 56 -12.749 -3.686 11.793 1.00 0.00 H new ATOM 0 HE2 MET A 56 -12.765 -2.035 11.130 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.186 -3.088 10.931 1.00 0.00 H new ATOM 818 N GLN A 57 -8.921 -0.426 7.105 1.00 0.00 N ATOM 819 CA GLN A 57 -7.520 -0.655 6.793 1.00 0.00 C ATOM 820 C GLN A 57 -6.638 -0.225 7.966 1.00 0.00 C ATOM 821 O GLN A 57 -7.007 0.664 8.732 1.00 0.00 O ATOM 822 CB GLN A 57 -7.118 0.072 5.509 1.00 0.00 C ATOM 823 CG GLN A 57 -7.207 -0.861 4.299 1.00 0.00 C ATOM 824 CD GLN A 57 -6.339 -0.349 3.147 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.207 0.069 3.327 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.931 -0.406 1.958 1.00 0.00 N ATOM 0 H GLN A 57 -9.197 0.556 7.128 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.375 -1.722 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.767 0.934 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.101 0.452 5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.886 -1.863 4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.244 -0.939 3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.881 -0.768 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.435 -0.088 1.125 1.00 0.00 H new ATOM 835 N LYS A 58 -5.488 -0.876 8.071 1.00 0.00 N ATOM 836 CA LYS A 58 -4.550 -0.572 9.138 1.00 0.00 C ATOM 837 C LYS A 58 -3.192 -0.216 8.530 1.00 0.00 C ATOM 838 O LYS A 58 -2.365 -1.095 8.290 1.00 0.00 O ATOM 839 CB LYS A 58 -4.491 -1.724 10.143 1.00 0.00 C ATOM 840 CG LYS A 58 -3.660 -1.339 11.369 1.00 0.00 C ATOM 841 CD LYS A 58 -4.552 -1.141 12.596 1.00 0.00 C ATOM 842 CE LYS A 58 -4.208 0.162 13.319 1.00 0.00 C ATOM 843 NZ LYS A 58 -3.537 -0.121 14.608 1.00 0.00 N ATOM 0 H LYS A 58 -5.185 -1.613 7.434 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.884 0.297 9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.501 -1.993 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.058 -2.604 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.923 -2.116 11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.108 -0.422 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.598 -1.126 12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.431 -1.983 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.559 0.773 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.116 0.738 13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.311 0.775 15.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.169 -0.685 15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.660 -0.652 14.434 1.00 0.00 H new ATOM 857 N VAL A 59 -3.003 1.075 8.300 1.00 0.00 N ATOM 858 CA VAL A 59 -1.759 1.558 7.725 1.00 0.00 C ATOM 859 C VAL A 59 -0.734 1.767 8.841 1.00 0.00 C ATOM 860 O VAL A 59 -0.823 2.732 9.598 1.00 0.00 O ATOM 861 CB VAL A 59 -2.018 2.825 6.907 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.809 3.172 6.036 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.283 2.681 6.058 1.00 0.00 C ATOM 0 H VAL A 59 -3.690 1.801 8.501 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.345 0.821 7.037 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.175 3.648 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.019 4.076 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.061 3.338 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.606 2.349 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.444 3.595 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.168 1.841 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.140 2.504 6.708 1.00 0.00 H new ATOM 873 N MET A 60 0.216 0.845 8.908 1.00 0.00 N ATOM 874 CA MET A 60 1.257 0.916 9.919 1.00 0.00 C ATOM 875 C MET A 60 2.555 0.283 9.414 1.00 0.00 C ATOM 876 O MET A 60 2.580 -0.895 9.062 1.00 0.00 O ATOM 877 CB MET A 60 0.792 0.189 11.182 1.00 0.00 C ATOM 878 CG MET A 60 0.311 1.183 12.242 1.00 0.00 C ATOM 879 SD MET A 60 0.256 0.392 13.841 1.00 0.00 S ATOM 880 CE MET A 60 2.000 0.132 14.118 1.00 0.00 C ATOM 0 H MET A 60 0.286 0.045 8.279 1.00 0.00 H new ATOM 0 HA MET A 60 1.449 1.965 10.143 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.014 -0.501 10.933 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.610 -0.409 11.584 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.980 2.043 12.276 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.678 1.558 11.978 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.212 0.196 15.185 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.284 -0.854 13.750 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.570 0.895 13.588 1.00 0.00 H new ATOM 890 N TYR A 61 3.603 1.094 9.395 1.00 0.00 N ATOM 891 CA TYR A 61 4.902 0.629 8.939 1.00 0.00 C ATOM 892 C TYR A 61 5.985 0.922 9.979 1.00 0.00 C ATOM 893 O TYR A 61 6.448 2.056 10.096 1.00 0.00 O ATOM 894 CB TYR A 61 5.208 1.417 7.664 1.00 0.00 C ATOM 895 CG TYR A 61 6.700 1.518 7.339 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.523 0.426 7.527 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.223 2.701 6.857 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.927 0.521 7.221 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.627 2.796 6.551 1.00 0.00 C ATOM 900 CZ TYR A 61 9.409 1.701 6.748 1.00 0.00 C ATOM 901 OH TYR A 61 10.735 1.791 6.458 1.00 0.00 O ATOM 0 H TYR A 61 3.579 2.071 9.688 1.00 0.00 H new ATOM 0 HA TYR A 61 4.887 -0.448 8.771 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.695 0.946 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.799 2.423 7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.114 -0.500 7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.579 3.555 6.709 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.582 -0.326 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.049 3.716 6.174 1.00 0.00 H new ATOM 0 HH TYR A 61 10.937 2.691 6.128 1.00 0.00 H new ATOM 911 N LYS A 62 6.359 -0.120 10.707 1.00 0.00 N ATOM 912 CA LYS A 62 7.379 0.012 11.733 1.00 0.00 C ATOM 913 C LYS A 62 7.062 1.225 12.610 1.00 0.00 C ATOM 914 O LYS A 62 7.956 1.800 13.228 1.00 0.00 O ATOM 915 CB LYS A 62 8.772 0.058 11.101 1.00 0.00 C ATOM 916 CG LYS A 62 9.567 -1.206 11.433 1.00 0.00 C ATOM 917 CD LYS A 62 11.052 -0.888 11.617 1.00 0.00 C ATOM 918 CE LYS A 62 11.809 -1.021 10.294 1.00 0.00 C ATOM 919 NZ LYS A 62 12.969 -1.927 10.450 1.00 0.00 N ATOM 0 H LYS A 62 5.974 -1.059 10.607 1.00 0.00 H new ATOM 0 HA LYS A 62 7.378 -0.862 12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.681 0.161 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.310 0.935 11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.173 -1.659 12.343 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.444 -1.937 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.165 0.124 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.483 -1.563 12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.141 -1.405 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.148 -0.040 9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.472 -2.006 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.614 -1.545 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.638 -2.867 10.746 1.00 0.00 H new ATOM 933 N GLY A 63 5.785 1.577 12.636 1.00 0.00 N ATOM 934 CA GLY A 63 5.338 2.711 13.427 1.00 0.00 C ATOM 935 C GLY A 63 4.095 3.355 12.810 1.00 0.00 C ATOM 936 O GLY A 63 3.860 3.232 11.608 1.00 0.00 O ATOM 0 H GLY A 63 5.046 1.097 12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.116 2.385 14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.138 3.448 13.496 1.00 0.00 H new ATOM 940 N LEU A 64 3.331 4.026 13.659 1.00 0.00 N ATOM 941 CA LEU A 64 2.118 4.689 13.212 1.00 0.00 C ATOM 942 C LEU A 64 2.453 5.628 12.051 1.00 0.00 C ATOM 943 O LEU A 64 3.485 6.296 12.067 1.00 0.00 O ATOM 944 CB LEU A 64 1.424 5.385 14.384 1.00 0.00 C ATOM 945 CG LEU A 64 0.640 4.477 15.334 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.791 4.265 14.834 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.372 3.152 15.555 1.00 0.00 C ATOM 0 H LEU A 64 3.529 4.125 14.655 1.00 0.00 H new ATOM 0 HA LEU A 64 1.402 3.958 12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.178 5.918 14.963 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.741 6.134 13.983 1.00 0.00 H new ATOM 0 HG LEU A 64 0.573 4.973 16.302 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.326 3.616 15.527 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.300 5.227 14.770 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.767 3.801 13.848 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.793 2.526 16.234 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.492 2.639 14.601 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.353 3.346 15.988 1.00 0.00 H new ATOM 959 N VAL A 65 1.561 5.648 11.071 1.00 0.00 N ATOM 960 CA VAL A 65 1.749 6.493 9.905 1.00 0.00 C ATOM 961 C VAL A 65 0.744 7.646 9.948 1.00 0.00 C ATOM 962 O VAL A 65 -0.452 7.439 9.754 1.00 0.00 O ATOM 963 CB VAL A 65 1.643 5.656 8.629 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.357 6.541 7.414 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.908 4.822 8.413 1.00 0.00 C ATOM 0 H VAL A 65 0.706 5.092 11.061 1.00 0.00 H new ATOM 0 HA VAL A 65 2.747 6.931 9.909 1.00 0.00 H new ATOM 0 HB VAL A 65 0.805 4.969 8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.287 5.921 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.416 7.071 7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.164 7.263 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.806 4.237 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.770 5.484 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.050 4.151 9.260 1.00 0.00 H new ATOM 975 N PRO A 66 1.282 8.867 10.212 1.00 0.00 N ATOM 976 CA PRO A 66 0.446 10.053 10.283 1.00 0.00 C ATOM 977 C PRO A 66 0.015 10.506 8.887 1.00 0.00 C ATOM 978 O PRO A 66 0.851 10.879 8.066 1.00 0.00 O ATOM 979 CB PRO A 66 1.291 11.088 11.008 1.00 0.00 C ATOM 980 CG PRO A 66 2.727 10.600 10.903 1.00 0.00 C ATOM 981 CD PRO A 66 2.695 9.150 10.447 1.00 0.00 C ATOM 0 HA PRO A 66 -0.488 9.876 10.816 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.179 12.072 10.553 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.985 11.182 12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.287 11.211 10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.231 10.686 11.866 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.284 9.007 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.111 8.487 11.206 1.00 0.00 H new ATOM 989 N GLU A 67 -1.290 10.458 8.660 1.00 0.00 N ATOM 990 CA GLU A 67 -1.842 10.858 7.377 1.00 0.00 C ATOM 991 C GLU A 67 -1.632 12.357 7.153 1.00 0.00 C ATOM 992 O GLU A 67 -1.856 12.861 6.054 1.00 0.00 O ATOM 993 CB GLU A 67 -3.324 10.491 7.280 1.00 0.00 C ATOM 994 CG GLU A 67 -3.533 8.990 7.488 1.00 0.00 C ATOM 995 CD GLU A 67 -4.859 8.531 6.879 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.836 9.301 7.000 1.00 0.00 O ATOM 997 OE2 GLU A 67 -4.865 7.420 6.306 1.00 0.00 O ATOM 0 H GLU A 67 -1.981 10.148 9.343 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.315 10.316 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.890 11.047 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.711 10.784 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.710 8.438 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.520 8.762 8.554 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.204 13.027 8.213 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.961 14.458 8.146 1.00 0.00 C ATOM 1006 C ASP A 68 0.442 14.707 7.589 1.00 0.00 C ATOM 1007 O ASP A 68 0.814 15.849 7.323 1.00 0.00 O ATOM 1008 CB ASP A 68 -1.039 15.095 9.534 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.981 16.296 9.642 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.857 16.412 8.759 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.803 17.072 10.606 1.00 0.00 O ATOM 0 H ASP A 68 -1.019 12.605 9.123 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.722 14.900 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.359 14.336 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.038 15.410 9.830 1.00 0.00 H new ATOM 1016 N LYS A 69 1.183 13.620 7.430 1.00 0.00 N ATOM 1017 CA LYS A 69 2.537 13.706 6.911 1.00 0.00 C ATOM 1018 C LYS A 69 2.686 12.749 5.727 1.00 0.00 C ATOM 1019 O LYS A 69 2.100 11.667 5.721 1.00 0.00 O ATOM 1020 CB LYS A 69 3.556 13.468 8.027 1.00 0.00 C ATOM 1021 CG LYS A 69 3.417 14.519 9.130 1.00 0.00 C ATOM 1022 CD LYS A 69 4.531 15.563 9.036 1.00 0.00 C ATOM 1023 CE LYS A 69 4.529 16.479 10.262 1.00 0.00 C ATOM 1024 NZ LYS A 69 5.541 17.548 10.112 1.00 0.00 N ATOM 0 H LYS A 69 0.871 12.675 7.652 1.00 0.00 H new ATOM 0 HA LYS A 69 2.738 14.710 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.414 12.473 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.565 13.499 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.447 15.009 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.450 14.034 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.496 15.064 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.401 16.159 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.541 16.921 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.737 15.896 11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.526 18.160 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.484 17.121 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.325 18.115 9.267 1.00 0.00 H new ATOM 1038 N THR A 70 3.474 13.180 4.753 1.00 0.00 N ATOM 1039 CA THR A 70 3.708 12.375 3.567 1.00 0.00 C ATOM 1040 C THR A 70 4.681 11.235 3.879 1.00 0.00 C ATOM 1041 O THR A 70 5.428 11.302 4.854 1.00 0.00 O ATOM 1042 CB THR A 70 4.197 13.303 2.454 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.359 13.920 3.001 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.240 14.470 2.201 1.00 0.00 C ATOM 0 H THR A 70 3.959 14.077 4.761 1.00 0.00 H new ATOM 0 HA THR A 70 2.790 11.894 3.229 1.00 0.00 H new ATOM 0 HB THR A 70 4.323 12.731 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.742 14.538 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.635 15.097 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.263 14.083 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.139 15.062 3.111 1.00 0.00 H new ATOM 1052 N LEU A 71 4.639 10.217 3.033 1.00 0.00 N ATOM 1053 CA LEU A 71 5.507 9.064 3.206 1.00 0.00 C ATOM 1054 C LEU A 71 6.943 9.542 3.432 1.00 0.00 C ATOM 1055 O LEU A 71 7.626 9.064 4.337 1.00 0.00 O ATOM 1056 CB LEU A 71 5.359 8.099 2.028 1.00 0.00 C ATOM 1057 CG LEU A 71 4.048 7.312 1.967 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.813 6.746 0.566 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.014 6.221 3.039 1.00 0.00 C ATOM 0 H LEU A 71 4.018 10.166 2.226 1.00 0.00 H new ATOM 0 HA LEU A 71 5.215 8.497 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.462 8.667 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.185 7.389 2.060 1.00 0.00 H new ATOM 0 HG LEU A 71 3.228 7.998 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.875 6.191 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.763 7.564 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.633 6.079 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.072 5.676 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.843 5.531 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.102 6.677 4.025 1.00 0.00 H new ATOM 1071 N ARG A 72 7.359 10.481 2.594 1.00 0.00 N ATOM 1072 CA ARG A 72 8.701 11.029 2.691 1.00 0.00 C ATOM 1073 C ARG A 72 8.859 11.820 3.992 1.00 0.00 C ATOM 1074 O ARG A 72 9.972 11.994 4.485 1.00 0.00 O ATOM 1075 CB ARG A 72 9.010 11.944 1.505 1.00 0.00 C ATOM 1076 CG ARG A 72 10.442 12.477 1.581 1.00 0.00 C ATOM 1077 CD ARG A 72 10.458 14.007 1.591 1.00 0.00 C ATOM 1078 NE ARG A 72 11.693 14.504 0.944 1.00 0.00 N ATOM 1079 CZ ARG A 72 12.021 15.800 0.848 1.00 0.00 C ATOM 1080 NH1 ARG A 72 11.208 16.736 1.356 1.00 0.00 N ATOM 1081 NH2 ARG A 72 13.162 16.159 0.244 1.00 0.00 N ATOM 0 H ARG A 72 6.790 10.876 1.845 1.00 0.00 H new ATOM 0 HA ARG A 72 9.401 10.194 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.871 11.396 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.308 12.778 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.927 12.099 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.016 12.109 0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.583 14.392 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.402 14.373 2.616 1.00 0.00 H new ATOM 0 HE ARG A 72 12.334 13.818 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.340 16.462 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.457 17.722 1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.781 15.446 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.412 17.145 0.171 1.00 0.00 H new ATOM 1095 N GLU A 73 7.729 12.278 4.509 1.00 0.00 N ATOM 1096 CA GLU A 73 7.727 13.046 5.742 1.00 0.00 C ATOM 1097 C GLU A 73 7.805 12.111 6.951 1.00 0.00 C ATOM 1098 O GLU A 73 8.499 12.403 7.923 1.00 0.00 O ATOM 1099 CB GLU A 73 6.494 13.947 5.825 1.00 0.00 C ATOM 1100 CG GLU A 73 6.634 15.155 4.896 1.00 0.00 C ATOM 1101 CD GLU A 73 7.327 16.318 5.609 1.00 0.00 C ATOM 1102 OE1 GLU A 73 6.896 16.628 6.741 1.00 0.00 O ATOM 1103 OE2 GLU A 73 8.272 16.871 5.006 1.00 0.00 O ATOM 0 H GLU A 73 6.808 12.132 4.096 1.00 0.00 H new ATOM 0 HA GLU A 73 8.607 13.689 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.604 13.378 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.356 14.287 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.206 14.874 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.649 15.470 4.552 1.00 0.00 H new ATOM 1110 N ILE A 74 7.084 11.004 6.849 1.00 0.00 N ATOM 1111 CA ILE A 74 7.062 10.024 7.922 1.00 0.00 C ATOM 1112 C ILE A 74 8.332 9.173 7.855 1.00 0.00 C ATOM 1113 O ILE A 74 8.558 8.320 8.712 1.00 0.00 O ATOM 1114 CB ILE A 74 5.771 9.205 7.874 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.857 8.106 6.813 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.555 10.110 7.664 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.715 6.720 7.445 1.00 0.00 C ATOM 0 H ILE A 74 6.511 10.764 6.040 1.00 0.00 H new ATOM 0 HA ILE A 74 7.061 10.521 8.892 1.00 0.00 H new ATOM 0 HB ILE A 74 5.644 8.712 8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.074 8.252 6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.811 8.175 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.650 9.503 7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.486 10.823 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.661 10.650 6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.780 5.958 6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.514 6.568 8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.750 6.646 7.947 1.00 0.00 H new ATOM 1129 N LYS A 75 9.128 9.435 6.829 1.00 0.00 N ATOM 1130 CA LYS A 75 10.370 8.704 6.639 1.00 0.00 C ATOM 1131 C LYS A 75 10.075 7.384 5.924 1.00 0.00 C ATOM 1132 O LYS A 75 9.996 6.334 6.560 1.00 0.00 O ATOM 1133 CB LYS A 75 11.099 8.532 7.973 1.00 0.00 C ATOM 1134 CG LYS A 75 11.069 9.828 8.785 1.00 0.00 C ATOM 1135 CD LYS A 75 10.505 9.584 10.186 1.00 0.00 C ATOM 1136 CE LYS A 75 11.433 10.157 11.259 1.00 0.00 C ATOM 1137 NZ LYS A 75 10.959 11.489 11.697 1.00 0.00 N ATOM 0 H LYS A 75 8.937 10.143 6.120 1.00 0.00 H new ATOM 0 HA LYS A 75 11.051 9.267 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.634 7.729 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.132 8.236 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.076 10.237 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.461 10.571 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.520 10.042 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.374 8.514 10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.473 9.480 12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.447 10.236 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.600 11.863 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.943 12.137 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.000 11.404 12.090 1.00 0.00 H new ATOM 1151 N VAL A 76 9.921 7.480 4.612 1.00 0.00 N ATOM 1152 CA VAL A 76 9.636 6.307 3.804 1.00 0.00 C ATOM 1153 C VAL A 76 10.643 6.228 2.654 1.00 0.00 C ATOM 1154 O VAL A 76 11.076 7.254 2.132 1.00 0.00 O ATOM 1155 CB VAL A 76 8.184 6.340 3.325 1.00 0.00 C ATOM 1156 CG1 VAL A 76 7.928 5.258 2.274 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.215 6.203 4.501 1.00 0.00 C ATOM 0 H VAL A 76 9.988 8.353 4.088 1.00 0.00 H new ATOM 0 HA VAL A 76 9.747 5.399 4.397 1.00 0.00 H new ATOM 0 HB VAL A 76 8.008 7.309 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.888 5.304 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.582 5.421 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.131 4.277 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.190 6.230 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.393 5.256 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.371 7.026 5.199 1.00 0.00 H new ATOM 1167 N THR A 77 10.987 5.000 2.294 1.00 0.00 N ATOM 1168 CA THR A 77 11.935 4.774 1.216 1.00 0.00 C ATOM 1169 C THR A 77 11.489 3.592 0.353 1.00 0.00 C ATOM 1170 O THR A 77 10.366 3.109 0.488 1.00 0.00 O ATOM 1171 CB THR A 77 13.320 4.586 1.836 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.082 3.759 2.972 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.878 5.881 2.429 1.00 0.00 C ATOM 0 H THR A 77 10.626 4.151 2.730 1.00 0.00 H new ATOM 0 HA THR A 77 11.979 5.629 0.542 1.00 0.00 H new ATOM 0 HB THR A 77 14.008 4.208 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.929 3.585 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.863 5.691 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.961 6.634 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.208 6.242 3.209 1.00 0.00 H new ATOM 1181 N SER A 78 12.393 3.161 -0.515 1.00 0.00 N ATOM 1182 CA SER A 78 12.107 2.044 -1.400 1.00 0.00 C ATOM 1183 C SER A 78 12.335 0.722 -0.665 1.00 0.00 C ATOM 1184 O SER A 78 13.476 0.330 -0.425 1.00 0.00 O ATOM 1185 CB SER A 78 12.970 2.106 -2.661 1.00 0.00 C ATOM 1186 OG SER A 78 14.325 2.435 -2.365 1.00 0.00 O ATOM 0 H SER A 78 13.323 3.565 -0.624 1.00 0.00 H new ATOM 0 HA SER A 78 11.062 2.107 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.934 1.144 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.558 2.847 -3.346 1.00 0.00 H new ATOM 0 HG SER A 78 14.629 1.908 -1.597 1.00 0.00 H new ATOM 1192 N GLY A 79 11.232 0.071 -0.327 1.00 0.00 N ATOM 1193 CA GLY A 79 11.298 -1.199 0.376 1.00 0.00 C ATOM 1194 C GLY A 79 10.691 -1.083 1.776 1.00 0.00 C ATOM 1195 O GLY A 79 10.983 -1.895 2.652 1.00 0.00 O ATOM 0 H GLY A 79 10.287 0.399 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.766 -1.962 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.336 -1.523 0.451 1.00 0.00 H new ATOM 1199 N ALA A 80 9.856 -0.068 1.942 1.00 0.00 N ATOM 1200 CA ALA A 80 9.205 0.165 3.220 1.00 0.00 C ATOM 1201 C ALA A 80 8.019 -0.790 3.365 1.00 0.00 C ATOM 1202 O ALA A 80 7.091 -0.759 2.559 1.00 0.00 O ATOM 1203 CB ALA A 80 8.787 1.633 3.320 1.00 0.00 C ATOM 0 H ALA A 80 9.615 0.603 1.212 1.00 0.00 H new ATOM 0 HA ALA A 80 9.892 -0.035 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.299 1.808 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.669 2.269 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.095 1.870 2.512 1.00 0.00 H new ATOM 1209 N LYS A 81 8.089 -1.617 4.398 1.00 0.00 N ATOM 1210 CA LYS A 81 7.032 -2.580 4.659 1.00 0.00 C ATOM 1211 C LYS A 81 5.720 -1.834 4.912 1.00 0.00 C ATOM 1212 O LYS A 81 5.711 -0.789 5.560 1.00 0.00 O ATOM 1213 CB LYS A 81 7.434 -3.521 5.795 1.00 0.00 C ATOM 1214 CG LYS A 81 6.554 -4.773 5.808 1.00 0.00 C ATOM 1215 CD LYS A 81 7.403 -6.039 5.933 1.00 0.00 C ATOM 1216 CE LYS A 81 7.184 -6.714 7.288 1.00 0.00 C ATOM 1217 NZ LYS A 81 8.176 -6.231 8.274 1.00 0.00 N ATOM 0 H LYS A 81 8.861 -1.640 5.064 1.00 0.00 H new ATOM 0 HA LYS A 81 6.874 -3.218 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.479 -3.808 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.348 -3.002 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.851 -4.719 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.963 -4.816 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.148 -6.733 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.457 -5.788 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.176 -6.506 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.267 -7.795 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.013 -6.699 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.135 -6.452 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.078 -5.202 8.390 1.00 0.00 H new ATOM 1231 N ILE A 82 4.643 -2.401 4.388 1.00 0.00 N ATOM 1232 CA ILE A 82 3.329 -1.804 4.549 1.00 0.00 C ATOM 1233 C ILE A 82 2.307 -2.902 4.849 1.00 0.00 C ATOM 1234 O ILE A 82 1.852 -3.596 3.941 1.00 0.00 O ATOM 1235 CB ILE A 82 2.975 -0.951 3.329 1.00 0.00 C ATOM 1236 CG1 ILE A 82 4.001 0.165 3.124 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.549 -0.406 3.436 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.767 1.313 4.109 1.00 0.00 C ATOM 0 H ILE A 82 4.654 -3.268 3.851 1.00 0.00 H new ATOM 0 HA ILE A 82 3.323 -1.122 5.399 1.00 0.00 H new ATOM 0 HB ILE A 82 3.011 -1.588 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.007 -0.233 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.937 0.539 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.323 0.197 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.846 -1.237 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.461 0.211 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.510 2.093 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.769 1.724 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.855 0.940 5.130 1.00 0.00 H new ATOM 1250 N MET A 83 1.977 -3.026 6.126 1.00 0.00 N ATOM 1251 CA MET A 83 1.017 -4.029 6.557 1.00 0.00 C ATOM 1252 C MET A 83 -0.414 -3.498 6.454 1.00 0.00 C ATOM 1253 O MET A 83 -0.669 -2.329 6.740 1.00 0.00 O ATOM 1254 CB MET A 83 1.311 -4.428 8.005 1.00 0.00 C ATOM 1255 CG MET A 83 2.637 -5.184 8.107 1.00 0.00 C ATOM 1256 SD MET A 83 2.511 -6.472 9.336 1.00 0.00 S ATOM 1257 CE MET A 83 2.904 -7.896 8.334 1.00 0.00 C ATOM 0 H MET A 83 2.357 -2.449 6.876 1.00 0.00 H new ATOM 0 HA MET A 83 1.110 -4.898 5.905 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.347 -3.537 8.631 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.502 -5.052 8.385 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.894 -5.616 7.140 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.439 -4.495 8.371 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.045 -8.765 8.976 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.087 -8.088 7.638 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.820 -7.706 7.775 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.311 -4.383 6.044 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.710 -4.018 5.899 1.00 0.00 C ATOM 1269 C VAL A 84 -3.577 -5.033 6.646 1.00 0.00 C ATOM 1270 O VAL A 84 -3.144 -6.156 6.902 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.070 -3.900 4.417 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.549 -3.554 4.237 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.178 -2.873 3.716 1.00 0.00 C ATOM 0 H VAL A 84 -1.096 -5.352 5.808 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.897 -3.040 6.343 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.894 -4.870 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.778 -3.476 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.163 -4.336 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.762 -2.603 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.455 -2.809 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.307 -1.898 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.135 -3.180 3.799 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.787 -4.603 6.974 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.719 -5.461 7.686 1.00 0.00 C ATOM 1285 C VAL A 85 -6.854 -5.866 6.744 1.00 0.00 C ATOM 1286 O VAL A 85 -7.029 -5.267 5.684 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.214 -4.758 8.952 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.115 -3.571 8.604 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -6.934 -5.740 9.878 1.00 0.00 C ATOM 0 H VAL A 85 -5.143 -3.672 6.760 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.224 -6.376 8.011 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.344 -4.373 9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.453 -3.089 9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.556 -2.854 8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.979 -3.923 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.276 -5.215 10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.791 -6.168 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.249 -6.537 10.166 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.596 -6.879 7.165 1.00 0.00 N ATOM 1300 CA GLY A 86 -8.710 -7.371 6.373 1.00 0.00 C ATOM 1301 C GLY A 86 -10.035 -7.190 7.117 1.00 0.00 C ATOM 1302 O GLY A 86 -10.566 -6.083 7.186 1.00 0.00 O ATOM 0 H GLY A 86 -7.448 -7.373 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.747 -6.839 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.559 -8.426 6.143 1.00 0.00 H new ATOM 1306 N SER A 87 -10.530 -8.295 7.655 1.00 0.00 N ATOM 1307 CA SER A 87 -11.783 -8.272 8.391 1.00 0.00 C ATOM 1308 C SER A 87 -12.945 -7.987 7.437 1.00 0.00 C ATOM 1309 O SER A 87 -13.393 -6.847 7.323 1.00 0.00 O ATOM 1310 CB SER A 87 -11.746 -7.229 9.509 1.00 0.00 C ATOM 1311 OG SER A 87 -12.006 -7.806 10.786 1.00 0.00 O ATOM 0 H SER A 87 -10.086 -9.212 7.596 1.00 0.00 H new ATOM 0 HA SER A 87 -11.929 -9.250 8.849 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.769 -6.746 9.522 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.483 -6.453 9.305 1.00 0.00 H new ATOM 0 HG SER A 87 -11.972 -7.108 11.473 1.00 0.00 H new ATOM 1317 N THR A 88 -13.400 -9.042 6.778 1.00 0.00 N ATOM 1318 CA THR A 88 -14.502 -8.919 5.838 1.00 0.00 C ATOM 1319 C THR A 88 -15.797 -8.578 6.577 1.00 0.00 C ATOM 1320 O THR A 88 -16.021 -9.045 7.693 1.00 0.00 O ATOM 1321 CB THR A 88 -14.584 -10.218 5.034 1.00 0.00 C ATOM 1322 OG1 THR A 88 -13.434 -10.180 4.193 1.00 0.00 O ATOM 1323 CG2 THR A 88 -15.761 -10.228 4.056 1.00 0.00 C ATOM 0 H THR A 88 -13.026 -9.986 6.876 1.00 0.00 H new ATOM 0 HA THR A 88 -14.338 -8.098 5.140 1.00 0.00 H new ATOM 0 HB THR A 88 -14.673 -11.062 5.718 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.408 -10.987 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.773 -11.172 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.694 -10.116 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.655 -9.403 3.351 1.00 0.00 H new ATOM 1331 N ILE A 89 -16.617 -7.767 5.924 1.00 0.00 N ATOM 1332 CA ILE A 89 -17.884 -7.358 6.505 1.00 0.00 C ATOM 1333 C ILE A 89 -19.026 -7.785 5.580 1.00 0.00 C ATOM 1334 O ILE A 89 -18.980 -7.535 4.376 1.00 0.00 O ATOM 1335 CB ILE A 89 -17.872 -5.861 6.817 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -16.627 -5.477 7.619 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -19.162 -5.437 7.524 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -15.671 -4.631 6.776 1.00 0.00 C ATOM 0 H ILE A 89 -16.428 -7.382 4.998 1.00 0.00 H new ATOM 0 HA ILE A 89 -18.044 -7.857 7.461 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.828 -5.317 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.921 -4.921 8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -16.117 -6.378 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -19.127 -4.368 7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -20.016 -5.653 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -19.262 -5.988 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.795 -4.372 7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -15.360 -5.198 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -16.176 -3.719 6.458 1.00 0.00 H new ATOM 1350 N SER A 90 -20.023 -8.420 6.177 1.00 0.00 N ATOM 1351 CA SER A 90 -21.175 -8.883 5.421 1.00 0.00 C ATOM 1352 C SER A 90 -22.364 -7.950 5.655 1.00 0.00 C ATOM 1353 O SER A 90 -22.805 -7.773 6.789 1.00 0.00 O ATOM 1354 CB SER A 90 -21.543 -10.318 5.803 1.00 0.00 C ATOM 1355 OG SER A 90 -22.853 -10.668 5.365 1.00 0.00 O ATOM 0 H SER A 90 -20.058 -8.625 7.176 1.00 0.00 H new ATOM 0 HA SER A 90 -20.916 -8.872 4.362 1.00 0.00 H new ATOM 0 HB2 SER A 90 -20.819 -11.006 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 90 -21.480 -10.433 6.885 1.00 0.00 H new ATOM 0 HG SER A 90 -23.050 -11.592 5.627 1.00 0.00 H new ATOM 1361 N GLY A 91 -22.849 -7.377 4.563 1.00 0.00 N ATOM 1362 CA GLY A 91 -23.978 -6.466 4.634 1.00 0.00 C ATOM 1363 C GLY A 91 -24.509 -6.139 3.237 1.00 0.00 C ATOM 1364 O GLY A 91 -23.780 -5.607 2.401 1.00 0.00 O ATOM 0 H GLY A 91 -22.480 -7.526 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -24.772 -6.912 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -23.677 -5.547 5.137 1.00 0.00 H new ATOM 1368 N PRO A 92 -25.807 -6.480 3.021 1.00 0.00 N ATOM 1369 CA PRO A 92 -26.444 -6.228 1.739 1.00 0.00 C ATOM 1370 C PRO A 92 -26.770 -4.743 1.571 1.00 0.00 C ATOM 1371 O PRO A 92 -26.554 -3.949 2.485 1.00 0.00 O ATOM 1372 CB PRO A 92 -27.681 -7.112 1.734 1.00 0.00 C ATOM 1373 CG PRO A 92 -27.942 -7.472 3.187 1.00 0.00 C ATOM 1374 CD PRO A 92 -26.701 -7.112 3.987 1.00 0.00 C ATOM 0 HA PRO A 92 -25.797 -6.465 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -28.534 -6.588 1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -27.519 -8.007 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -28.810 -6.931 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -28.163 -8.535 3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -26.941 -6.435 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -26.244 -7.998 4.429 1.00 0.00 H new ATOM 1382 N SER A 93 -27.284 -4.412 0.395 1.00 0.00 N ATOM 1383 CA SER A 93 -27.642 -3.036 0.095 1.00 0.00 C ATOM 1384 C SER A 93 -28.845 -3.002 -0.849 1.00 0.00 C ATOM 1385 O SER A 93 -29.096 -3.962 -1.576 1.00 0.00 O ATOM 1386 CB SER A 93 -26.462 -2.282 -0.521 1.00 0.00 C ATOM 1387 OG SER A 93 -25.666 -1.635 0.468 1.00 0.00 O ATOM 0 H SER A 93 -27.461 -5.073 -0.361 1.00 0.00 H new ATOM 0 HA SER A 93 -27.907 -2.540 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 93 -25.842 -2.978 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 93 -26.835 -1.541 -1.228 1.00 0.00 H new ATOM 0 HG SER A 93 -25.718 -2.136 1.309 1.00 0.00 H new ATOM 1393 N SER A 94 -29.558 -1.886 -0.807 1.00 0.00 N ATOM 1394 CA SER A 94 -30.730 -1.715 -1.650 1.00 0.00 C ATOM 1395 C SER A 94 -30.587 -0.446 -2.492 1.00 0.00 C ATOM 1396 O SER A 94 -30.299 0.626 -1.962 1.00 0.00 O ATOM 1397 CB SER A 94 -32.008 -1.654 -0.811 1.00 0.00 C ATOM 1398 OG SER A 94 -32.772 -2.852 -0.914 1.00 0.00 O ATOM 0 H SER A 94 -29.347 -1.092 -0.203 1.00 0.00 H new ATOM 0 HA SER A 94 -30.804 -2.577 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 94 -31.748 -1.478 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 94 -32.614 -0.808 -1.135 1.00 0.00 H new ATOM 0 HG SER A 94 -33.579 -2.774 -0.363 1.00 0.00 H new ATOM 1404 N GLY A 95 -30.794 -0.609 -3.791 1.00 0.00 N ATOM 1405 CA GLY A 95 -30.692 0.510 -4.712 1.00 0.00 C ATOM 1406 C GLY A 95 -31.994 1.312 -4.746 1.00 0.00 C ATOM 1407 O GLY A 95 -31.993 2.489 -5.105 1.00 0.00 O ATOM 0 H GLY A 95 -31.032 -1.500 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -29.869 1.159 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -30.461 0.143 -5.712 1.00 0.00 H new TER 1411 GLY A 95