USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot -103:sc= 1.15 USER MOD Set 1.2: A 61 SER OG : rot 77:sc= 1.1 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0993 (180deg=0) USER MOD Single : A 8 SER OG : rot -16:sc= 0.726 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.26 K(o=0.26,f=-8.1!) USER MOD Single : A 18 THR OG1 : rot -74:sc= 1.89 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.966 (180deg=0.941) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.76! C(o=-5.8!,f=-3.7!) USER MOD Single : A 68 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.233 -4.766 -0.673 1.00 0.00 N ATOM 2 CA GLY A 1 9.367 -3.681 -1.101 1.00 0.00 C ATOM 3 C GLY A 1 7.990 -3.786 -0.442 1.00 0.00 C ATOM 4 O GLY A 1 7.614 -4.846 0.056 1.00 0.00 O ATOM 0 H1 GLY A 1 11.003 -4.385 -0.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.682 -5.451 -0.117 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.634 -5.240 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.824 -2.725 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.258 -3.704 -2.185 1.00 0.00 H new ATOM 5 N GLU A 2 7.275 -2.670 -0.459 1.00 0.00 N ATOM 6 CA GLU A 2 5.952 -2.619 0.140 1.00 0.00 C ATOM 7 C GLU A 2 4.886 -2.973 -0.899 1.00 0.00 C ATOM 8 O GLU A 2 5.049 -2.685 -2.084 1.00 0.00 O ATOM 9 CB GLU A 2 5.681 -1.247 0.758 1.00 0.00 C ATOM 10 CG GLU A 2 6.588 -1.000 1.965 1.00 0.00 C ATOM 11 CD GLU A 2 8.012 -0.662 1.521 1.00 0.00 C ATOM 12 OE1 GLU A 2 8.228 -0.295 0.356 1.00 0.00 O ATOM 13 OE2 GLU A 2 8.914 -0.790 2.434 1.00 0.00 O ATOM 0 H GLU A 2 7.587 -1.794 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 2 5.909 -3.356 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.843 -0.470 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.637 -1.182 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.187 -0.183 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.602 -1.885 2.601 1.00 0.00 H new ATOM 14 N GLU A 3 3.818 -3.590 -0.418 1.00 0.00 N ATOM 15 CA GLU A 3 2.722 -3.980 -1.289 1.00 0.00 C ATOM 16 C GLU A 3 3.241 -4.840 -2.443 1.00 0.00 C ATOM 17 O GLU A 3 3.265 -4.396 -3.590 1.00 0.00 O ATOM 18 CB GLU A 3 1.975 -2.752 -1.813 1.00 0.00 C ATOM 19 CG GLU A 3 0.730 -3.163 -2.601 1.00 0.00 C ATOM 20 CD GLU A 3 -0.165 -4.085 -1.771 1.00 0.00 C ATOM 21 OE1 GLU A 3 -0.582 -3.713 -0.664 1.00 0.00 O ATOM 22 OE2 GLU A 3 -0.427 -5.226 -2.315 1.00 0.00 O ATOM 0 H GLU A 3 3.688 -3.830 0.565 1.00 0.00 H new ATOM 0 HA GLU A 3 2.016 -4.574 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.687 -2.113 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.636 -2.164 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.171 -2.274 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.027 -3.669 -3.519 1.00 0.00 H new ATOM 23 N CYS A 4 3.644 -6.054 -2.100 1.00 0.00 N ATOM 24 CA CYS A 4 4.064 -7.016 -3.104 1.00 0.00 C ATOM 25 C CYS A 4 2.811 -7.629 -3.734 1.00 0.00 C ATOM 26 O CYS A 4 1.784 -7.769 -3.072 1.00 0.00 O ATOM 27 CB CYS A 4 4.988 -8.084 -2.516 1.00 0.00 C ATOM 28 SG CYS A 4 6.477 -7.432 -1.676 1.00 0.00 S ATOM 0 H CYS A 4 3.689 -6.394 -1.139 1.00 0.00 H new ATOM 0 HA CYS A 4 4.648 -6.510 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.420 -8.684 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.303 -8.753 -3.317 1.00 0.00 H new ATOM 29 N ASP A 5 2.938 -7.978 -5.006 1.00 0.00 N ATOM 30 CA ASP A 5 1.839 -8.603 -5.724 1.00 0.00 C ATOM 31 C ASP A 5 2.401 -9.494 -6.833 1.00 0.00 C ATOM 32 O ASP A 5 2.059 -9.324 -8.002 1.00 0.00 O ATOM 33 CB ASP A 5 0.935 -7.552 -6.373 1.00 0.00 C ATOM 34 CG ASP A 5 0.450 -6.447 -5.432 1.00 0.00 C ATOM 35 OD1 ASP A 5 -0.404 -6.826 -4.542 1.00 0.00 O ATOM 36 OD2 ASP A 5 0.866 -5.284 -5.543 1.00 0.00 O ATOM 0 H ASP A 5 3.785 -7.840 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 5 1.258 -9.186 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.474 -7.092 -7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.066 -8.054 -6.798 1.00 0.00 H new ATOM 37 N CYS A 6 3.253 -10.424 -6.427 1.00 0.00 N ATOM 38 CA CYS A 6 3.961 -11.257 -7.383 1.00 0.00 C ATOM 39 C CYS A 6 3.349 -12.660 -7.342 1.00 0.00 C ATOM 40 O CYS A 6 2.959 -13.140 -6.279 1.00 0.00 O ATOM 41 CB CYS A 6 5.466 -11.283 -7.106 1.00 0.00 C ATOM 42 SG CYS A 6 6.264 -9.638 -7.047 1.00 0.00 S ATOM 0 H CYS A 6 3.469 -10.619 -5.449 1.00 0.00 H new ATOM 0 HA CYS A 6 3.850 -10.841 -8.384 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.638 -11.789 -6.156 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.953 -11.880 -7.877 1.00 0.00 H new ATOM 43 N GLY A 7 3.285 -13.277 -8.513 1.00 0.00 N ATOM 44 CA GLY A 7 2.899 -14.674 -8.602 1.00 0.00 C ATOM 45 C GLY A 7 4.126 -15.573 -8.764 1.00 0.00 C ATOM 46 O GLY A 7 4.085 -16.754 -8.420 1.00 0.00 O ATOM 0 H GLY A 7 3.494 -12.834 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.350 -14.961 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.226 -14.816 -9.447 1.00 0.00 H new ATOM 47 N SER A 8 5.189 -14.980 -9.289 1.00 0.00 N ATOM 48 CA SER A 8 6.426 -15.712 -9.500 1.00 0.00 C ATOM 49 C SER A 8 7.594 -14.734 -9.642 1.00 0.00 C ATOM 50 O SER A 8 7.406 -13.595 -10.065 1.00 0.00 O ATOM 51 CB SER A 8 6.332 -16.611 -10.734 1.00 0.00 C ATOM 52 OG SER A 8 5.270 -17.555 -10.627 1.00 0.00 O ATOM 0 H SER A 8 5.219 -14.001 -9.574 1.00 0.00 H new ATOM 0 HA SER A 8 6.598 -16.350 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.182 -15.995 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.275 -17.140 -10.870 1.00 0.00 H new ATOM 0 HG SER A 8 4.977 -17.613 -9.694 1.00 0.00 H new ATOM 53 N PRO A 9 8.807 -15.228 -9.273 1.00 0.00 N ATOM 54 CA PRO A 9 10.013 -14.431 -9.408 1.00 0.00 C ATOM 55 C PRO A 9 10.454 -14.347 -10.870 1.00 0.00 C ATOM 56 O PRO A 9 10.862 -13.285 -11.340 1.00 0.00 O ATOM 57 CB PRO A 9 11.038 -15.113 -8.517 1.00 0.00 C ATOM 58 CG PRO A 9 10.514 -16.520 -8.281 1.00 0.00 C ATOM 59 CD PRO A 9 9.059 -16.556 -8.719 1.00 0.00 C ATOM 0 HA PRO A 9 9.868 -13.394 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.017 -15.136 -8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.155 -14.577 -7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.100 -17.245 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.602 -16.789 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.888 -17.334 -9.463 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.397 -16.767 -7.879 1.00 0.00 H new ATOM 60 N SER A 10 10.357 -15.479 -11.550 1.00 0.00 N ATOM 61 CA SER A 10 10.777 -15.557 -12.939 1.00 0.00 C ATOM 62 C SER A 10 9.945 -14.597 -13.792 1.00 0.00 C ATOM 63 O SER A 10 10.391 -14.153 -14.848 1.00 0.00 O ATOM 64 CB SER A 10 10.653 -16.986 -13.473 1.00 0.00 C ATOM 65 OG SER A 10 9.326 -17.488 -13.350 1.00 0.00 O ATOM 0 H SER A 10 9.993 -16.351 -11.165 1.00 0.00 H new ATOM 0 HA SER A 10 11.826 -15.267 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.954 -17.009 -14.520 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.339 -17.637 -12.930 1.00 0.00 H new ATOM 0 HG SER A 10 9.288 -18.401 -13.703 1.00 0.00 H new ATOM 66 N ASN A 11 8.749 -14.306 -13.301 1.00 0.00 N ATOM 67 CA ASN A 11 7.857 -13.394 -13.996 1.00 0.00 C ATOM 68 C ASN A 11 8.607 -12.100 -14.318 1.00 0.00 C ATOM 69 O ASN A 11 9.169 -11.466 -13.425 1.00 0.00 O ATOM 70 CB ASN A 11 6.649 -13.036 -13.128 1.00 0.00 C ATOM 71 CG ASN A 11 5.441 -12.670 -13.993 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.479 -11.757 -14.802 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.371 -13.430 -13.778 1.00 0.00 N ATOM 0 H ASN A 11 8.377 -14.686 -12.430 1.00 0.00 H new ATOM 0 HA ASN A 11 7.514 -13.886 -14.906 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.397 -13.878 -12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.900 -12.200 -12.476 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.514 -13.265 -14.306 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.408 -14.178 -13.085 1.00 0.00 H new ATOM 74 N PRO A 12 8.592 -11.736 -15.628 1.00 0.00 N ATOM 75 CA PRO A 12 9.275 -10.537 -16.080 1.00 0.00 C ATOM 76 C PRO A 12 8.493 -9.281 -15.687 1.00 0.00 C ATOM 77 O PRO A 12 9.006 -8.168 -15.794 1.00 0.00 O ATOM 78 CB PRO A 12 9.411 -10.704 -17.584 1.00 0.00 C ATOM 79 CG PRO A 12 8.396 -11.764 -17.980 1.00 0.00 C ATOM 80 CD PRO A 12 7.927 -12.456 -16.710 1.00 0.00 C ATOM 0 HA PRO A 12 10.254 -10.411 -15.617 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.216 -9.764 -18.100 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.422 -11.011 -17.853 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.553 -11.310 -18.501 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.843 -12.484 -18.665 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.843 -12.408 -16.610 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.200 -13.511 -16.710 1.00 0.00 H new ATOM 81 N CYS A 13 7.266 -9.502 -15.241 1.00 0.00 N ATOM 82 CA CYS A 13 6.397 -8.399 -14.865 1.00 0.00 C ATOM 83 C CYS A 13 6.844 -7.880 -13.496 1.00 0.00 C ATOM 84 O CYS A 13 7.220 -6.716 -13.363 1.00 0.00 O ATOM 85 CB CYS A 13 4.924 -8.816 -14.864 1.00 0.00 C ATOM 86 SG CYS A 13 4.281 -9.365 -16.487 1.00 0.00 S ATOM 0 H CYS A 13 6.852 -10.428 -15.131 1.00 0.00 H new ATOM 0 HA CYS A 13 6.481 -7.599 -15.601 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.790 -9.623 -14.144 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.323 -7.976 -14.516 1.00 0.00 H new ATOM 87 N CYS A 14 6.787 -8.768 -12.514 1.00 0.00 N ATOM 88 CA CYS A 14 7.246 -8.434 -11.177 1.00 0.00 C ATOM 89 C CYS A 14 8.763 -8.634 -11.128 1.00 0.00 C ATOM 90 O CYS A 14 9.309 -9.458 -11.859 1.00 0.00 O ATOM 91 CB CYS A 14 6.527 -9.260 -10.109 1.00 0.00 C ATOM 92 SG CYS A 14 7.513 -9.597 -8.606 1.00 0.00 S ATOM 0 H CYS A 14 6.430 -9.718 -12.618 1.00 0.00 H new ATOM 0 HA CYS A 14 7.009 -7.393 -10.957 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.615 -8.738 -9.819 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.224 -10.210 -10.548 1.00 0.00 H new ATOM 93 N ASP A 15 9.400 -7.865 -10.256 1.00 0.00 N ATOM 94 CA ASP A 15 10.839 -7.964 -10.083 1.00 0.00 C ATOM 95 C ASP A 15 11.149 -8.341 -8.633 1.00 0.00 C ATOM 96 O ASP A 15 10.330 -8.125 -7.742 1.00 0.00 O ATOM 97 CB ASP A 15 11.523 -6.628 -10.381 1.00 0.00 C ATOM 98 CG ASP A 15 12.637 -6.690 -11.428 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.714 -7.287 -11.043 1.00 0.00 O ATOM 100 OD2 ASP A 15 12.483 -6.194 -12.554 1.00 0.00 O ATOM 0 H ASP A 15 8.946 -7.171 -9.662 1.00 0.00 H new ATOM 0 HA ASP A 15 11.210 -8.721 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.768 -5.918 -10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.939 -6.235 -9.453 1.00 0.00 H new ATOM 101 N ALA A 16 12.337 -8.899 -8.442 1.00 0.00 N ATOM 102 CA ALA A 16 12.748 -9.348 -7.123 1.00 0.00 C ATOM 103 C ALA A 16 13.399 -8.184 -6.373 1.00 0.00 C ATOM 104 O ALA A 16 13.403 -8.159 -5.143 1.00 0.00 O ATOM 105 CB ALA A 16 13.686 -10.549 -7.262 1.00 0.00 C ATOM 0 H ALA A 16 13.026 -9.050 -9.178 1.00 0.00 H new ATOM 0 HA ALA A 16 11.885 -9.673 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.995 -10.886 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.167 -11.358 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.565 -10.259 -7.837 1.00 0.00 H new ATOM 106 N ALA A 17 13.933 -7.249 -7.145 1.00 0.00 N ATOM 107 CA ALA A 17 14.526 -6.053 -6.571 1.00 0.00 C ATOM 108 C ALA A 17 13.425 -5.029 -6.286 1.00 0.00 C ATOM 109 O ALA A 17 13.699 -3.943 -5.779 1.00 0.00 O ATOM 110 CB ALA A 17 15.598 -5.510 -7.518 1.00 0.00 C ATOM 0 H ALA A 17 13.967 -7.295 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 17 15.014 -6.283 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.043 -4.613 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.371 -6.265 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.145 -5.265 -8.479 1.00 0.00 H new ATOM 111 N THR A 18 12.203 -5.412 -6.626 1.00 0.00 N ATOM 112 CA THR A 18 11.061 -4.538 -6.421 1.00 0.00 C ATOM 113 C THR A 18 9.755 -5.321 -6.576 1.00 0.00 C ATOM 114 O THR A 18 8.975 -5.060 -7.490 1.00 0.00 O ATOM 115 CB THR A 18 11.183 -3.363 -7.393 1.00 0.00 C ATOM 116 OG1 THR A 18 9.927 -2.699 -7.296 1.00 0.00 O ATOM 117 CG2 THR A 18 11.254 -3.817 -8.853 1.00 0.00 C ATOM 0 H THR A 18 11.979 -6.316 -7.042 1.00 0.00 H new ATOM 0 HA THR A 18 11.046 -4.139 -5.407 1.00 0.00 H new ATOM 0 HB THR A 18 12.072 -2.782 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.242 -3.225 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.340 -2.945 -9.501 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.123 -4.460 -8.992 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.350 -4.370 -9.106 1.00 0.00 H new ATOM 118 N CYS A 19 9.558 -6.265 -5.668 1.00 0.00 N ATOM 119 CA CYS A 19 8.359 -7.086 -5.689 1.00 0.00 C ATOM 120 C CYS A 19 7.189 -6.213 -6.148 1.00 0.00 C ATOM 121 O CYS A 19 6.267 -6.699 -6.802 1.00 0.00 O ATOM 122 CB CYS A 19 8.091 -7.732 -4.329 1.00 0.00 C ATOM 123 SG CYS A 19 7.633 -6.560 -3.000 1.00 0.00 S ATOM 0 H CYS A 19 10.209 -6.480 -4.913 1.00 0.00 H new ATOM 0 HA CYS A 19 8.492 -7.912 -6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.290 -8.463 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.982 -8.279 -4.021 1.00 0.00 H new ATOM 124 N LYS A 20 7.263 -4.940 -5.788 1.00 0.00 N ATOM 125 CA LYS A 20 6.237 -3.990 -6.180 1.00 0.00 C ATOM 126 C LYS A 20 6.441 -3.601 -7.646 1.00 0.00 C ATOM 127 O LYS A 20 7.442 -2.975 -7.991 1.00 0.00 O ATOM 128 CB LYS A 20 6.219 -2.795 -5.224 1.00 0.00 C ATOM 129 CG LYS A 20 4.887 -2.048 -5.306 1.00 0.00 C ATOM 130 CD LYS A 20 5.110 -0.549 -5.516 1.00 0.00 C ATOM 131 CE LYS A 20 5.493 -0.251 -6.967 1.00 0.00 C ATOM 132 NZ LYS A 20 5.618 1.209 -7.180 1.00 0.00 N ATOM 0 H LYS A 20 8.019 -4.545 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 20 5.249 -4.444 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.385 -3.139 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.036 -2.117 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.291 -2.449 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.318 -2.210 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.203 -0.003 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.897 -0.197 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.436 -0.742 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.739 -0.660 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.878 1.394 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.710 1.670 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.354 1.590 -6.551 1.00 0.00 H new ATOM 133 N LEU A 21 5.478 -3.989 -8.468 1.00 0.00 N ATOM 134 CA LEU A 21 5.699 -4.056 -9.902 1.00 0.00 C ATOM 135 C LEU A 21 6.120 -2.677 -10.414 1.00 0.00 C ATOM 136 O LEU A 21 5.910 -1.670 -9.739 1.00 0.00 O ATOM 137 CB LEU A 21 4.466 -4.624 -10.609 1.00 0.00 C ATOM 138 CG LEU A 21 4.123 -6.080 -10.291 1.00 0.00 C ATOM 139 CD1 LEU A 21 2.936 -6.166 -9.329 1.00 0.00 C ATOM 140 CD2 LEU A 21 3.879 -6.878 -11.573 1.00 0.00 C ATOM 0 H LEU A 21 4.542 -4.261 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 21 6.513 -4.744 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.607 -4.005 -10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.614 -4.533 -11.685 1.00 0.00 H new ATOM 0 HG LEU A 21 4.979 -6.531 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.713 -7.212 -9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.184 -5.654 -8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.065 -5.693 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.637 -7.910 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.049 -6.436 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.777 -6.858 -12.191 1.00 0.00 H new ATOM 141 N ARG A 22 6.707 -2.675 -11.602 1.00 0.00 N ATOM 142 CA ARG A 22 7.114 -1.432 -12.233 1.00 0.00 C ATOM 143 C ARG A 22 5.930 -0.795 -12.962 1.00 0.00 C ATOM 144 O ARG A 22 4.920 -1.453 -13.209 1.00 0.00 O ATOM 145 CB ARG A 22 8.251 -1.667 -13.230 1.00 0.00 C ATOM 146 CG ARG A 22 9.605 -1.701 -12.519 1.00 0.00 C ATOM 147 CD ARG A 22 10.598 -2.587 -13.275 1.00 0.00 C ATOM 148 NE ARG A 22 10.158 -3.999 -13.224 1.00 0.00 N ATOM 149 CZ ARG A 22 10.438 -4.907 -14.168 1.00 0.00 C ATOM 150 NH1 ARG A 22 11.394 -4.660 -15.074 1.00 0.00 N ATOM 151 NH2 ARG A 22 9.762 -6.064 -14.206 1.00 0.00 N ATOM 0 H ARG A 22 6.910 -3.515 -12.144 1.00 0.00 H new ATOM 0 HA ARG A 22 7.466 -0.762 -11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.089 -2.607 -13.757 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.250 -0.877 -13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.003 -0.689 -12.438 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.477 -2.076 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.675 -2.259 -14.312 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.591 -2.491 -12.836 1.00 0.00 H new ATOM 0 HE ARG A 22 9.607 -4.299 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.909 -3.780 -15.045 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.607 -5.352 -15.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.035 -6.253 -13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.975 -6.756 -14.925 1.00 0.00 H new ATOM 152 N PRO A 23 6.095 0.513 -13.294 1.00 0.00 N ATOM 153 CA PRO A 23 5.103 1.215 -14.092 1.00 0.00 C ATOM 154 C PRO A 23 5.184 0.795 -15.561 1.00 0.00 C ATOM 155 O PRO A 23 6.200 1.017 -16.218 1.00 0.00 O ATOM 156 CB PRO A 23 5.398 2.691 -13.879 1.00 0.00 C ATOM 157 CG PRO A 23 6.821 2.759 -13.348 1.00 0.00 C ATOM 158 CD PRO A 23 7.227 1.357 -12.922 1.00 0.00 C ATOM 0 HA PRO A 23 4.081 0.980 -13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.302 3.247 -14.812 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.696 3.132 -13.171 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.497 3.136 -14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.881 3.447 -12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.140 1.039 -13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.421 1.309 -11.850 1.00 0.00 H new ATOM 159 N GLY A 24 4.100 0.196 -16.033 1.00 0.00 N ATOM 160 CA GLY A 24 4.136 -0.535 -17.288 1.00 0.00 C ATOM 161 C GLY A 24 3.725 -1.995 -17.084 1.00 0.00 C ATOM 162 O GLY A 24 3.452 -2.708 -18.049 1.00 0.00 O ATOM 0 H GLY A 24 3.192 0.202 -15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.467 -0.062 -18.008 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.140 -0.492 -17.710 1.00 0.00 H new ATOM 163 N ALA A 25 3.694 -2.397 -15.821 1.00 0.00 N ATOM 164 CA ALA A 25 3.221 -3.725 -15.471 1.00 0.00 C ATOM 165 C ALA A 25 2.328 -3.632 -14.232 1.00 0.00 C ATOM 166 O ALA A 25 2.812 -3.373 -13.130 1.00 0.00 O ATOM 167 CB ALA A 25 4.418 -4.653 -15.258 1.00 0.00 C ATOM 0 H ALA A 25 3.989 -1.826 -15.029 1.00 0.00 H new ATOM 0 HA ALA A 25 2.622 -4.145 -16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.063 -5.650 -14.995 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.005 -4.707 -16.175 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.040 -4.265 -14.452 1.00 0.00 H new ATOM 168 N GLN A 26 1.040 -3.850 -14.452 1.00 0.00 N ATOM 169 CA GLN A 26 0.051 -3.611 -13.414 1.00 0.00 C ATOM 170 C GLN A 26 -0.380 -4.933 -12.777 1.00 0.00 C ATOM 171 O GLN A 26 -1.226 -4.949 -11.885 1.00 0.00 O ATOM 172 CB GLN A 26 -1.154 -2.851 -13.970 1.00 0.00 C ATOM 173 CG GLN A 26 -1.415 -1.574 -13.167 1.00 0.00 C ATOM 174 CD GLN A 26 -2.915 -1.357 -12.956 1.00 0.00 C ATOM 175 OE1 GLN A 26 -3.578 -0.656 -13.703 1.00 0.00 O ATOM 176 NE2 GLN A 26 -3.409 -1.993 -11.898 1.00 0.00 N ATOM 0 H GLN A 26 0.658 -4.190 -15.335 1.00 0.00 H new ATOM 0 HA GLN A 26 0.506 -2.990 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.978 -2.598 -15.016 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.037 -3.490 -13.941 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.914 -1.638 -12.201 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.990 -0.718 -13.690 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.797 -2.564 -11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.400 -1.910 -11.670 1.00 0.00 H new ATOM 177 N CYS A 27 0.222 -6.010 -13.261 1.00 0.00 N ATOM 178 CA CYS A 27 -0.158 -7.341 -12.818 1.00 0.00 C ATOM 179 C CYS A 27 1.007 -8.292 -13.102 1.00 0.00 C ATOM 180 O CYS A 27 1.976 -7.914 -13.758 1.00 0.00 O ATOM 181 CB CYS A 27 -1.453 -7.811 -13.483 1.00 0.00 C ATOM 182 SG CYS A 27 -1.248 -9.173 -14.688 1.00 0.00 S ATOM 0 H CYS A 27 0.969 -5.988 -13.955 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.362 -7.326 -11.747 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.147 -8.133 -12.707 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.913 -6.963 -13.990 1.00 0.00 H new ATOM 183 N ALA A 28 0.873 -9.508 -12.593 1.00 0.00 N ATOM 184 CA ALA A 28 1.879 -10.530 -12.825 1.00 0.00 C ATOM 185 C ALA A 28 1.367 -11.513 -13.881 1.00 0.00 C ATOM 186 O ALA A 28 2.122 -11.942 -14.752 1.00 0.00 O ATOM 187 CB ALA A 28 2.220 -11.221 -11.504 1.00 0.00 C ATOM 0 H ALA A 28 0.083 -9.808 -12.021 1.00 0.00 H new ATOM 0 HA ALA A 28 2.798 -10.084 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.975 -11.988 -11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.606 -10.486 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.322 -11.683 -11.093 1.00 0.00 H new ATOM 188 N ASP A 29 0.088 -11.838 -13.770 1.00 0.00 N ATOM 189 CA ASP A 29 -0.524 -12.792 -14.680 1.00 0.00 C ATOM 190 C ASP A 29 -2.029 -12.852 -14.412 1.00 0.00 C ATOM 191 O ASP A 29 -2.482 -12.525 -13.316 1.00 0.00 O ATOM 192 CB ASP A 29 0.050 -14.195 -14.475 1.00 0.00 C ATOM 193 CG ASP A 29 -0.360 -15.222 -15.531 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.806 -14.864 -16.632 1.00 0.00 O ATOM 195 OD2 ASP A 29 -0.206 -16.455 -15.182 1.00 0.00 O ATOM 0 H ASP A 29 -0.542 -11.458 -13.064 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.320 -12.465 -15.699 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.138 -14.127 -14.459 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.261 -14.559 -13.496 1.00 0.00 H new ATOM 196 N GLY A 30 -2.762 -13.272 -15.433 1.00 0.00 N ATOM 197 CA GLY A 30 -4.205 -13.404 -15.312 1.00 0.00 C ATOM 198 C GLY A 30 -4.855 -13.577 -16.687 1.00 0.00 C ATOM 199 O GLY A 30 -4.310 -13.133 -17.696 1.00 0.00 O ATOM 0 H GLY A 30 -2.385 -13.525 -16.346 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.444 -14.261 -14.682 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.615 -12.522 -14.820 1.00 0.00 H new ATOM 200 N LEU A 31 -6.012 -14.223 -16.681 1.00 0.00 N ATOM 201 CA LEU A 31 -6.748 -14.452 -17.913 1.00 0.00 C ATOM 202 C LEU A 31 -7.213 -13.110 -18.482 1.00 0.00 C ATOM 203 O LEU A 31 -7.362 -12.963 -19.694 1.00 0.00 O ATOM 204 CB LEU A 31 -7.884 -15.449 -17.681 1.00 0.00 C ATOM 205 CG LEU A 31 -7.509 -16.929 -17.781 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.413 -17.785 -16.893 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.522 -17.401 -19.237 1.00 0.00 C ATOM 0 H LEU A 31 -6.458 -14.595 -15.842 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.102 -14.909 -18.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.304 -15.267 -16.692 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.673 -15.245 -18.405 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.490 -17.049 -17.413 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.125 -18.832 -16.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.309 -17.468 -15.855 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.450 -17.666 -17.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.252 -18.456 -19.280 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.519 -17.264 -19.655 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.804 -16.819 -19.815 1.00 0.00 H new ATOM 208 N CYS A 32 -7.429 -12.165 -17.580 1.00 0.00 N ATOM 209 CA CYS A 32 -7.855 -10.833 -17.978 1.00 0.00 C ATOM 210 C CYS A 32 -6.675 -9.878 -17.798 1.00 0.00 C ATOM 211 O CYS A 32 -6.862 -8.714 -17.447 1.00 0.00 O ATOM 212 CB CYS A 32 -9.086 -10.375 -17.193 1.00 0.00 C ATOM 213 SG CYS A 32 -10.636 -11.251 -17.614 1.00 0.00 S ATOM 0 H CYS A 32 -7.317 -12.294 -16.574 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.157 -10.842 -19.025 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.890 -10.505 -16.129 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.231 -9.308 -17.362 1.00 0.00 H new ATOM 214 N CYS A 33 -5.485 -10.404 -18.048 1.00 0.00 N ATOM 215 CA CYS A 33 -4.276 -9.603 -17.948 1.00 0.00 C ATOM 216 C CYS A 33 -3.323 -10.032 -19.065 1.00 0.00 C ATOM 217 O CYS A 33 -3.009 -11.214 -19.199 1.00 0.00 O ATOM 218 CB CYS A 33 -3.628 -9.726 -16.567 1.00 0.00 C ATOM 219 SG CYS A 33 -2.071 -8.788 -16.364 1.00 0.00 S ATOM 0 H CYS A 33 -5.332 -11.375 -18.320 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.524 -8.548 -18.068 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.341 -9.387 -15.815 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.430 -10.779 -16.366 1.00 0.00 H new ATOM 220 N ASP A 34 -2.888 -9.048 -19.840 1.00 0.00 N ATOM 221 CA ASP A 34 -1.929 -9.299 -20.901 1.00 0.00 C ATOM 222 C ASP A 34 -0.541 -9.506 -20.290 1.00 0.00 C ATOM 223 O ASP A 34 0.359 -8.694 -20.496 1.00 0.00 O ATOM 224 CB ASP A 34 -1.849 -8.113 -21.863 1.00 0.00 C ATOM 225 CG ASP A 34 -0.933 -8.319 -23.071 1.00 0.00 C ATOM 226 OD1 ASP A 34 -0.488 -9.443 -23.349 1.00 0.00 O ATOM 227 OD2 ASP A 34 -0.676 -7.253 -23.749 1.00 0.00 O ATOM 0 H ASP A 34 -3.183 -8.075 -19.753 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.254 -10.185 -21.447 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.853 -7.888 -22.222 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.505 -7.239 -21.310 1.00 0.00 H new ATOM 228 N GLN A 35 -0.412 -10.597 -19.549 1.00 0.00 N ATOM 229 CA GLN A 35 0.863 -10.946 -18.947 1.00 0.00 C ATOM 230 C GLN A 35 1.652 -9.681 -18.605 1.00 0.00 C ATOM 231 O GLN A 35 2.834 -9.574 -18.932 1.00 0.00 O ATOM 232 CB GLN A 35 1.671 -11.865 -19.866 1.00 0.00 C ATOM 233 CG GLN A 35 1.570 -11.409 -21.322 1.00 0.00 C ATOM 234 CD GLN A 35 2.626 -12.099 -22.188 1.00 0.00 C ATOM 235 OE1 GLN A 35 2.372 -13.091 -22.851 1.00 0.00 O ATOM 236 NE2 GLN A 35 3.823 -11.521 -22.143 1.00 0.00 N ATOM 0 H GLN A 35 -1.170 -11.251 -19.352 1.00 0.00 H new ATOM 0 HA GLN A 35 0.669 -11.491 -18.023 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.715 -11.870 -19.554 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.306 -12.888 -19.775 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.575 -11.632 -21.708 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.699 -10.328 -21.378 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.968 -10.692 -21.567 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.596 -11.907 -22.685 1.00 0.00 H new ATOM 237 N CYS A 36 0.968 -8.754 -17.950 1.00 0.00 N ATOM 238 CA CYS A 36 1.647 -7.663 -17.272 1.00 0.00 C ATOM 239 C CYS A 36 0.612 -6.586 -16.939 1.00 0.00 C ATOM 240 O CYS A 36 0.513 -6.147 -15.795 1.00 0.00 O ATOM 241 CB CYS A 36 2.800 -7.106 -18.109 1.00 0.00 C ATOM 242 SG CYS A 36 4.464 -7.673 -17.596 1.00 0.00 S ATOM 0 H CYS A 36 -0.049 -8.736 -17.875 1.00 0.00 H new ATOM 0 HA CYS A 36 2.098 -8.030 -16.350 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.642 -7.384 -19.151 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.772 -6.017 -18.062 1.00 0.00 H new ATOM 243 N ARG A 37 -0.134 -6.193 -17.961 1.00 0.00 N ATOM 244 CA ARG A 37 -1.159 -5.176 -17.792 1.00 0.00 C ATOM 245 C ARG A 37 -2.543 -5.768 -18.063 1.00 0.00 C ATOM 246 O ARG A 37 -2.658 -6.892 -18.548 1.00 0.00 O ATOM 247 CB ARG A 37 -0.923 -3.995 -18.736 1.00 0.00 C ATOM 248 CG ARG A 37 0.379 -3.269 -18.391 1.00 0.00 C ATOM 249 CD ARG A 37 0.728 -2.232 -19.461 1.00 0.00 C ATOM 250 NE ARG A 37 1.257 -2.907 -20.666 1.00 0.00 N ATOM 251 CZ ARG A 37 1.586 -2.272 -21.800 1.00 0.00 C ATOM 252 NH1 ARG A 37 1.474 -0.939 -21.877 1.00 0.00 N ATOM 253 NH2 ARG A 37 2.027 -2.971 -22.855 1.00 0.00 N ATOM 0 H ARG A 37 -0.049 -6.560 -18.909 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.107 -4.820 -16.763 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.884 -4.350 -19.766 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.760 -3.300 -18.670 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.281 -2.779 -17.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.190 -3.992 -18.301 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.158 -1.651 -19.719 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.467 -1.531 -19.073 1.00 0.00 H new ATOM 0 HE ARG A 37 1.379 -3.919 -20.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.139 -0.408 -21.073 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.724 -0.455 -22.739 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.112 -3.986 -22.795 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.277 -2.488 -23.718 1.00 0.00 H new ATOM 254 N PHE A 38 -3.560 -4.983 -17.737 1.00 0.00 N ATOM 255 CA PHE A 38 -4.930 -5.378 -18.020 1.00 0.00 C ATOM 256 C PHE A 38 -5.150 -5.564 -19.521 1.00 0.00 C ATOM 257 O PHE A 38 -4.262 -5.273 -20.323 1.00 0.00 O ATOM 258 CB PHE A 38 -5.834 -4.249 -17.519 1.00 0.00 C ATOM 259 CG PHE A 38 -5.976 -4.194 -15.997 1.00 0.00 C ATOM 260 CD1 PHE A 38 -6.341 -5.308 -15.307 1.00 0.00 C ATOM 261 CD2 PHE A 38 -5.738 -3.031 -15.333 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.473 -5.257 -13.894 1.00 0.00 C ATOM 263 CE2 PHE A 38 -5.870 -2.980 -13.920 1.00 0.00 C ATOM 264 CZ PHE A 38 -6.235 -4.093 -13.230 1.00 0.00 C ATOM 0 H PHE A 38 -3.463 -4.076 -17.280 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.152 -6.325 -17.529 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.438 -3.297 -17.871 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.823 -4.366 -17.962 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.530 -6.232 -15.834 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.449 -2.146 -15.881 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.762 -6.142 -13.346 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.680 -2.056 -13.393 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.336 -4.054 -12.155 1.00 0.00 H new ATOM 265 N LYS A 39 -6.337 -6.045 -19.860 1.00 0.00 N ATOM 266 CA LYS A 39 -6.750 -6.108 -21.251 1.00 0.00 C ATOM 267 C LYS A 39 -8.212 -5.669 -21.364 1.00 0.00 C ATOM 268 O LYS A 39 -8.917 -5.582 -20.360 1.00 0.00 O ATOM 269 CB LYS A 39 -6.481 -7.501 -21.828 1.00 0.00 C ATOM 270 CG LYS A 39 -7.177 -8.582 -20.998 1.00 0.00 C ATOM 271 CD LYS A 39 -7.119 -9.936 -21.707 1.00 0.00 C ATOM 272 CE LYS A 39 -5.724 -10.555 -21.594 1.00 0.00 C ATOM 273 NZ LYS A 39 -5.774 -12.004 -21.892 1.00 0.00 N ATOM 0 H LYS A 39 -7.026 -6.395 -19.194 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.160 -5.418 -21.855 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.833 -7.546 -22.859 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.407 -7.689 -21.849 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.701 -8.658 -20.020 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.216 -8.301 -20.826 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.856 -10.610 -21.272 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.382 -9.812 -22.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.043 -10.059 -22.285 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.330 -10.398 -20.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.808 -12.388 -21.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.326 -12.491 -21.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.224 -12.153 -22.818 1.00 0.00 H new ATOM 274 N LYS A 40 -8.623 -5.404 -22.596 1.00 0.00 N ATOM 275 CA LYS A 40 -9.871 -4.698 -22.832 1.00 0.00 C ATOM 276 C LYS A 40 -11.019 -5.706 -22.896 1.00 0.00 C ATOM 277 O LYS A 40 -10.788 -6.915 -22.907 1.00 0.00 O ATOM 278 CB LYS A 40 -9.758 -3.814 -24.075 1.00 0.00 C ATOM 279 CG LYS A 40 -9.477 -2.360 -23.691 1.00 0.00 C ATOM 280 CD LYS A 40 -8.046 -2.196 -23.176 1.00 0.00 C ATOM 281 CE LYS A 40 -7.060 -2.042 -24.335 1.00 0.00 C ATOM 282 NZ LYS A 40 -7.025 -0.637 -24.802 1.00 0.00 N ATOM 0 H LYS A 40 -8.114 -5.665 -23.440 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.088 -4.021 -22.006 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.960 -4.185 -24.718 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.682 -3.870 -24.650 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.632 -1.715 -24.556 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.182 -2.040 -22.924 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.988 -1.323 -22.526 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.771 -3.061 -22.573 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.064 -2.351 -24.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.350 -2.697 -25.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.351 -0.549 -25.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.973 -0.355 -25.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.727 -0.019 -24.021 1.00 0.00 H new ATOM 283 N LYS A 41 -12.231 -5.175 -22.938 1.00 0.00 N ATOM 284 CA LYS A 41 -13.410 -6.009 -23.094 1.00 0.00 C ATOM 285 C LYS A 41 -13.294 -6.810 -24.393 1.00 0.00 C ATOM 286 O LYS A 41 -12.328 -6.653 -25.138 1.00 0.00 O ATOM 287 CB LYS A 41 -14.682 -5.163 -23.005 1.00 0.00 C ATOM 288 CG LYS A 41 -15.710 -5.812 -22.077 1.00 0.00 C ATOM 289 CD LYS A 41 -17.026 -5.034 -22.085 1.00 0.00 C ATOM 290 CE LYS A 41 -16.898 -3.731 -21.293 1.00 0.00 C ATOM 291 NZ LYS A 41 -18.224 -3.095 -21.124 1.00 0.00 N ATOM 0 H LYS A 41 -12.423 -4.176 -22.867 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.477 -6.729 -22.279 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.435 -4.166 -22.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.111 -5.040 -23.999 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.890 -6.840 -22.391 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.314 -5.853 -21.062 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.315 -4.812 -23.112 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.818 -5.648 -21.656 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.458 -3.934 -20.316 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.224 -3.048 -21.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.119 -2.212 -20.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.629 -2.884 -22.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.856 -3.742 -20.610 1.00 0.00 H new ATOM 292 N ARG A 42 -14.293 -7.648 -24.625 1.00 0.00 N ATOM 293 CA ARG A 42 -14.343 -8.432 -25.848 1.00 0.00 C ATOM 294 C ARG A 42 -13.129 -9.360 -25.934 1.00 0.00 C ATOM 295 O ARG A 42 -12.530 -9.504 -26.999 1.00 0.00 O ATOM 296 CB ARG A 42 -14.374 -7.527 -27.081 1.00 0.00 C ATOM 297 CG ARG A 42 -15.612 -6.627 -27.069 1.00 0.00 C ATOM 298 CD ARG A 42 -15.489 -5.513 -28.111 1.00 0.00 C ATOM 299 NE ARG A 42 -15.382 -6.097 -29.466 1.00 0.00 N ATOM 300 CZ ARG A 42 -14.951 -5.424 -30.542 1.00 0.00 C ATOM 301 NH1 ARG A 42 -14.759 -4.100 -30.471 1.00 0.00 N ATOM 302 NH2 ARG A 42 -14.712 -6.076 -31.689 1.00 0.00 N ATOM 0 H ARG A 42 -15.074 -7.802 -23.987 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.257 -9.026 -25.824 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.474 -6.913 -27.109 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.372 -8.137 -27.984 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.502 -7.223 -27.272 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.740 -6.191 -26.078 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.357 -4.856 -28.057 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.612 -4.901 -27.899 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.653 -7.073 -29.589 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.941 -3.604 -29.598 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.431 -3.588 -31.290 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.858 -7.084 -31.743 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.384 -5.564 -32.508 1.00 0.00 H new ATOM 303 N THR A 43 -12.804 -9.963 -24.801 1.00 0.00 N ATOM 304 CA THR A 43 -11.754 -10.967 -24.763 1.00 0.00 C ATOM 305 C THR A 43 -12.156 -12.125 -23.846 1.00 0.00 C ATOM 306 O THR A 43 -12.667 -11.904 -22.749 1.00 0.00 O ATOM 307 CB THR A 43 -10.456 -10.278 -24.337 1.00 0.00 C ATOM 308 OG1 THR A 43 -9.431 -11.149 -24.808 1.00 0.00 O ATOM 309 CG2 THR A 43 -10.268 -10.267 -22.820 1.00 0.00 C ATOM 0 H THR A 43 -13.249 -9.776 -23.902 1.00 0.00 H new ATOM 0 HA THR A 43 -11.596 -11.411 -25.746 1.00 0.00 H new ATOM 0 HB THR A 43 -10.450 -9.254 -24.710 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.554 -10.778 -24.576 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.332 -9.766 -22.573 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.098 -9.735 -22.354 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.240 -11.292 -22.449 1.00 0.00 H new ATOM 310 N ILE A 44 -11.911 -13.333 -24.329 1.00 0.00 N ATOM 311 CA ILE A 44 -12.421 -14.522 -23.667 1.00 0.00 C ATOM 312 C ILE A 44 -11.533 -14.851 -22.465 1.00 0.00 C ATOM 313 O ILE A 44 -10.334 -15.079 -22.619 1.00 0.00 O ATOM 314 CB ILE A 44 -12.557 -15.674 -24.666 1.00 0.00 C ATOM 315 CG1 ILE A 44 -13.438 -15.272 -25.850 1.00 0.00 C ATOM 316 CG2 ILE A 44 -13.067 -16.940 -23.975 1.00 0.00 C ATOM 317 CD1 ILE A 44 -14.921 -15.354 -25.482 1.00 0.00 C ATOM 0 H ILE A 44 -11.366 -13.515 -25.172 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.425 -14.344 -23.282 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.568 -15.900 -25.064 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.193 -14.257 -26.162 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.233 -15.925 -26.698 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.155 -17.743 -24.706 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.367 -17.235 -23.194 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.043 -16.744 -23.532 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.526 -15.063 -26.341 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.168 -16.376 -25.193 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.127 -14.682 -24.649 1.00 0.00 H new ATOM 318 N CYS A 45 -12.156 -14.866 -21.297 1.00 0.00 N ATOM 319 CA CYS A 45 -11.461 -15.261 -20.083 1.00 0.00 C ATOM 320 C CYS A 45 -11.851 -16.704 -19.755 1.00 0.00 C ATOM 321 O CYS A 45 -11.072 -17.439 -19.149 1.00 0.00 O ATOM 322 CB CYS A 45 -11.764 -14.310 -18.923 1.00 0.00 C ATOM 323 SG CYS A 45 -13.030 -14.913 -17.747 1.00 0.00 S ATOM 0 H CYS A 45 -13.135 -14.611 -21.165 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.384 -15.203 -20.242 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.840 -14.121 -18.376 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.093 -13.355 -19.331 1.00 0.00 H new ATOM 324 N ARG A 46 -13.056 -17.067 -20.168 1.00 0.00 N ATOM 325 CA ARG A 46 -13.551 -18.413 -19.941 1.00 0.00 C ATOM 326 C ARG A 46 -14.516 -18.820 -21.057 1.00 0.00 C ATOM 327 O ARG A 46 -15.456 -18.089 -21.366 1.00 0.00 O ATOM 328 CB ARG A 46 -14.268 -18.517 -18.593 1.00 0.00 C ATOM 329 CG ARG A 46 -13.592 -19.551 -17.690 1.00 0.00 C ATOM 330 CD ARG A 46 -14.550 -20.035 -16.600 1.00 0.00 C ATOM 331 NE ARG A 46 -13.782 -20.537 -15.438 1.00 0.00 N ATOM 332 CZ ARG A 46 -13.294 -19.754 -14.467 1.00 0.00 C ATOM 333 NH1 ARG A 46 -13.436 -18.424 -14.543 1.00 0.00 N ATOM 334 NH2 ARG A 46 -12.662 -20.302 -13.420 1.00 0.00 N ATOM 0 H ARG A 46 -13.704 -16.451 -20.659 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.693 -19.085 -19.936 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.268 -17.544 -18.101 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.310 -18.794 -18.752 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.258 -20.399 -18.288 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.705 -19.114 -17.232 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.203 -19.219 -16.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.191 -20.825 -16.992 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.614 -21.541 -15.373 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.916 -18.007 -15.341 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.064 -17.828 -13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.553 -21.315 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.290 -19.707 -12.680 1.00 0.00 H new ATOM 335 N ILE A 47 -14.251 -19.985 -21.630 1.00 0.00 N ATOM 336 CA ILE A 47 -15.121 -20.527 -22.660 1.00 0.00 C ATOM 337 C ILE A 47 -16.308 -21.231 -21.999 1.00 0.00 C ATOM 338 O ILE A 47 -16.221 -21.654 -20.847 1.00 0.00 O ATOM 339 CB ILE A 47 -14.328 -21.422 -23.614 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.940 -20.839 -23.887 1.00 0.00 C ATOM 341 CG2 ILE A 47 -15.108 -21.673 -24.906 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.843 -21.762 -23.354 1.00 0.00 C ATOM 0 H ILE A 47 -13.446 -20.568 -21.401 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.528 -19.726 -23.277 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.182 -22.389 -23.133 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.808 -20.692 -24.959 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.855 -19.859 -23.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.522 -22.312 -25.567 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.053 -22.163 -24.671 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.306 -20.723 -25.402 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.867 -21.324 -23.561 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.964 -21.887 -22.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.916 -22.734 -23.843 1.00 0.00 H new ATOM 343 N ALA A 48 -17.389 -21.337 -22.758 1.00 0.00 N ATOM 344 CA ALA A 48 -18.591 -21.985 -22.263 1.00 0.00 C ATOM 345 C ALA A 48 -18.451 -23.500 -22.420 1.00 0.00 C ATOM 346 O ALA A 48 -17.771 -23.973 -23.330 1.00 0.00 O ATOM 347 CB ALA A 48 -19.812 -21.433 -23.002 1.00 0.00 C ATOM 0 H ALA A 48 -17.457 -20.985 -23.713 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.730 -21.775 -21.202 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.713 -21.920 -22.630 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.884 -20.358 -22.834 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.709 -21.627 -24.070 1.00 0.00 H new ATOM 348 N ARG A 49 -19.104 -24.221 -21.520 1.00 0.00 N ATOM 349 CA ARG A 49 -19.044 -25.672 -21.536 1.00 0.00 C ATOM 350 C ARG A 49 -20.339 -26.251 -22.108 1.00 0.00 C ATOM 351 O ARG A 49 -20.697 -27.390 -21.815 1.00 0.00 O ATOM 352 CB ARG A 49 -18.823 -26.230 -20.128 1.00 0.00 C ATOM 353 CG ARG A 49 -19.978 -25.849 -19.200 1.00 0.00 C ATOM 354 CD ARG A 49 -20.504 -27.072 -18.447 1.00 0.00 C ATOM 355 NE ARG A 49 -21.619 -26.679 -17.557 1.00 0.00 N ATOM 356 CZ ARG A 49 -22.326 -27.540 -16.813 1.00 0.00 C ATOM 357 NH1 ARG A 49 -22.007 -28.842 -16.810 1.00 0.00 N ATOM 358 NH2 ARG A 49 -23.352 -27.100 -16.072 1.00 0.00 N ATOM 0 H ARG A 49 -19.678 -23.826 -20.775 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.203 -25.962 -22.166 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.731 -27.315 -20.173 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.886 -25.847 -19.724 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -19.643 -25.095 -18.487 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.784 -25.402 -19.782 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.843 -27.827 -19.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.702 -27.521 -17.862 1.00 0.00 H new ATOM 0 HE ARG A 49 -21.865 -25.690 -17.507 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -21.226 -29.177 -17.374 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.545 -29.498 -16.244 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.595 -26.109 -16.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -23.890 -27.756 -15.506 1.00 0.00 H new ATOM 359 N GLY A 50 -21.006 -25.439 -22.916 1.00 0.00 N ATOM 360 CA GLY A 50 -22.254 -25.856 -23.532 1.00 0.00 C ATOM 361 C GLY A 50 -22.721 -24.834 -24.571 1.00 0.00 C ATOM 362 O GLY A 50 -21.906 -24.260 -25.291 1.00 0.00 O ATOM 0 H GLY A 50 -20.705 -24.495 -23.158 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.122 -26.828 -24.007 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.020 -25.977 -22.766 1.00 0.00 H new ATOM 363 N ASP A 51 -24.030 -24.638 -24.615 1.00 0.00 N ATOM 364 CA ASP A 51 -24.616 -23.707 -25.564 1.00 0.00 C ATOM 365 C ASP A 51 -24.860 -22.365 -24.872 1.00 0.00 C ATOM 366 O ASP A 51 -25.891 -21.729 -25.087 1.00 0.00 O ATOM 367 CB ASP A 51 -25.960 -24.223 -26.083 1.00 0.00 C ATOM 368 CG ASP A 51 -26.546 -23.435 -27.256 1.00 0.00 C ATOM 369 OD1 ASP A 51 -25.721 -23.197 -28.219 1.00 0.00 O ATOM 370 OD2 ASP A 51 -27.730 -23.067 -27.251 1.00 0.00 O ATOM 0 H ASP A 51 -24.702 -25.108 -24.009 1.00 0.00 H new ATOM 0 HA ASP A 51 -23.925 -23.597 -26.399 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -25.840 -25.263 -26.387 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -26.678 -24.212 -25.263 1.00 0.00 H new ATOM 371 N PHE A 52 -23.895 -21.974 -24.053 1.00 0.00 N ATOM 372 CA PHE A 52 -23.988 -20.715 -23.334 1.00 0.00 C ATOM 373 C PHE A 52 -22.979 -19.699 -23.873 1.00 0.00 C ATOM 374 O PHE A 52 -22.000 -20.073 -24.518 1.00 0.00 O ATOM 375 CB PHE A 52 -23.661 -21.011 -21.869 1.00 0.00 C ATOM 376 CG PHE A 52 -24.172 -22.368 -21.380 1.00 0.00 C ATOM 377 CD1 PHE A 52 -25.509 -22.614 -21.330 1.00 0.00 C ATOM 378 CD2 PHE A 52 -23.289 -23.328 -20.995 1.00 0.00 C ATOM 379 CE1 PHE A 52 -25.983 -23.873 -20.876 1.00 0.00 C ATOM 380 CE2 PHE A 52 -23.763 -24.588 -20.541 1.00 0.00 C ATOM 381 CZ PHE A 52 -25.100 -24.833 -20.491 1.00 0.00 C ATOM 0 H PHE A 52 -23.045 -22.507 -23.871 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.986 -20.293 -23.452 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.580 -20.971 -21.733 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -24.090 -20.226 -21.246 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -26.210 -21.851 -21.636 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -22.228 -23.133 -21.034 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -27.044 -24.068 -20.836 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -23.062 -25.351 -20.236 1.00 0.00 H new ATOM 0 HZ PHE A 52 -25.461 -25.791 -20.145 1.00 0.00 H new ATOM 382 N PRO A 53 -23.259 -18.400 -23.584 1.00 0.00 N ATOM 383 CA PRO A 53 -22.375 -17.330 -24.011 1.00 0.00 C ATOM 384 C PRO A 53 -21.111 -17.285 -23.150 1.00 0.00 C ATOM 385 O PRO A 53 -21.193 -17.265 -21.922 1.00 0.00 O ATOM 386 CB PRO A 53 -23.209 -16.064 -23.907 1.00 0.00 C ATOM 387 CG PRO A 53 -24.371 -16.406 -22.989 1.00 0.00 C ATOM 388 CD PRO A 53 -24.422 -17.918 -22.843 1.00 0.00 C ATOM 0 HA PRO A 53 -22.010 -17.468 -25.029 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.621 -15.241 -23.502 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.565 -15.749 -24.888 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -24.240 -15.933 -22.016 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -25.307 -16.031 -23.403 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -24.376 -18.217 -21.796 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -25.348 -18.324 -23.250 1.00 0.00 H new ATOM 389 N ASP A 54 -19.972 -17.274 -23.826 1.00 0.00 N ATOM 390 CA ASP A 54 -18.692 -17.229 -23.137 1.00 0.00 C ATOM 391 C ASP A 54 -18.576 -15.909 -22.371 1.00 0.00 C ATOM 392 O ASP A 54 -19.216 -14.922 -22.729 1.00 0.00 O ATOM 393 CB ASP A 54 -17.531 -17.304 -24.129 1.00 0.00 C ATOM 394 CG ASP A 54 -17.581 -18.488 -25.097 1.00 0.00 C ATOM 395 OD1 ASP A 54 -18.098 -19.564 -24.762 1.00 0.00 O ATOM 396 OD2 ASP A 54 -17.052 -18.271 -26.253 1.00 0.00 O ATOM 0 H ASP A 54 -19.908 -17.295 -24.844 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.643 -18.081 -22.459 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -17.508 -16.381 -24.709 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.597 -17.352 -23.569 1.00 0.00 H new ATOM 397 N ASP A 55 -17.755 -15.935 -21.332 1.00 0.00 N ATOM 398 CA ASP A 55 -17.573 -14.764 -20.492 1.00 0.00 C ATOM 399 C ASP A 55 -16.380 -13.954 -21.004 1.00 0.00 C ATOM 400 O ASP A 55 -15.324 -14.515 -21.295 1.00 0.00 O ATOM 401 CB ASP A 55 -17.286 -15.164 -19.044 1.00 0.00 C ATOM 402 CG ASP A 55 -16.859 -14.016 -18.128 1.00 0.00 C ATOM 403 OD1 ASP A 55 -15.718 -13.533 -18.197 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.765 -13.609 -17.305 1.00 0.00 O ATOM 0 H ASP A 55 -17.208 -16.749 -21.053 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.491 -14.177 -20.529 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.180 -15.628 -18.627 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.503 -15.922 -19.041 1.00 0.00 H new ATOM 405 N ARG A 56 -16.589 -12.649 -21.100 1.00 0.00 N ATOM 406 CA ARG A 56 -15.534 -11.754 -21.543 1.00 0.00 C ATOM 407 C ARG A 56 -15.029 -10.910 -20.371 1.00 0.00 C ATOM 408 O ARG A 56 -15.721 -10.759 -19.366 1.00 0.00 O ATOM 409 CB ARG A 56 -16.029 -10.827 -22.655 1.00 0.00 C ATOM 410 CG ARG A 56 -15.983 -11.528 -24.014 1.00 0.00 C ATOM 411 CD ARG A 56 -17.272 -11.281 -24.801 1.00 0.00 C ATOM 412 NE ARG A 56 -18.389 -12.038 -24.195 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.624 -12.098 -24.711 1.00 0.00 C ATOM 414 NH1 ARG A 56 -19.941 -11.349 -25.776 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.541 -12.906 -24.163 1.00 0.00 N ATOM 0 H ARG A 56 -17.473 -12.190 -20.879 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.720 -12.366 -21.932 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.049 -10.508 -22.441 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.414 -9.928 -22.685 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.128 -11.166 -24.586 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.840 -12.599 -23.870 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.505 -10.216 -24.808 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.137 -11.584 -25.839 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.208 -12.546 -23.330 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.242 -10.734 -26.193 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.881 -11.394 -26.170 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.299 -13.476 -23.352 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.481 -12.951 -24.556 1.00 0.00 H new ATOM 416 N CYS A 57 -13.826 -10.380 -20.540 1.00 0.00 N ATOM 417 CA CYS A 57 -13.216 -9.565 -19.503 1.00 0.00 C ATOM 418 C CYS A 57 -13.945 -8.222 -19.456 1.00 0.00 C ATOM 419 O CYS A 57 -14.847 -7.972 -20.256 1.00 0.00 O ATOM 420 CB CYS A 57 -11.713 -9.391 -19.733 1.00 0.00 C ATOM 421 SG CYS A 57 -10.741 -10.940 -19.663 1.00 0.00 S ATOM 0 H CYS A 57 -13.258 -10.499 -21.379 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.315 -10.064 -18.539 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.560 -8.927 -20.707 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.323 -8.700 -18.986 1.00 0.00 H new ATOM 422 N THR A 58 -13.529 -7.390 -18.512 1.00 0.00 N ATOM 423 CA THR A 58 -14.154 -6.092 -18.328 1.00 0.00 C ATOM 424 C THR A 58 -13.312 -4.997 -18.984 1.00 0.00 C ATOM 425 O THR A 58 -13.737 -4.383 -19.961 1.00 0.00 O ATOM 426 CB THR A 58 -14.369 -5.879 -16.828 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.087 -6.126 -16.256 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.267 -6.950 -16.206 1.00 0.00 C ATOM 0 H THR A 58 -12.766 -7.591 -17.866 1.00 0.00 H new ATOM 0 HA THR A 58 -15.126 -6.048 -18.819 1.00 0.00 H new ATOM 0 HB THR A 58 -14.809 -4.896 -16.661 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.080 -7.014 -15.841 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.386 -6.751 -15.141 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.243 -6.932 -16.690 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.812 -7.931 -16.343 1.00 0.00 H new ATOM 429 N GLY A 59 -12.132 -4.784 -18.419 1.00 0.00 N ATOM 430 CA GLY A 59 -11.242 -3.748 -18.913 1.00 0.00 C ATOM 431 C GLY A 59 -10.140 -3.441 -17.896 1.00 0.00 C ATOM 432 O GLY A 59 -8.984 -3.248 -18.267 1.00 0.00 O ATOM 0 H GLY A 59 -11.772 -5.312 -17.624 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.794 -4.067 -19.854 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.812 -2.843 -19.121 1.00 0.00 H new ATOM 433 N LEU A 60 -10.539 -3.405 -16.633 1.00 0.00 N ATOM 434 CA LEU A 60 -9.606 -3.098 -15.562 1.00 0.00 C ATOM 435 C LEU A 60 -9.731 -4.155 -14.464 1.00 0.00 C ATOM 436 O LEU A 60 -10.009 -3.827 -13.311 1.00 0.00 O ATOM 437 CB LEU A 60 -9.813 -1.666 -15.065 1.00 0.00 C ATOM 438 CG LEU A 60 -9.572 -0.558 -16.092 1.00 0.00 C ATOM 439 CD1 LEU A 60 -10.161 0.771 -15.612 1.00 0.00 C ATOM 440 CD2 LEU A 60 -8.085 -0.437 -16.431 1.00 0.00 C ATOM 0 H LEU A 60 -11.496 -3.583 -16.327 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.580 -3.138 -15.927 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.834 -1.575 -14.695 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.150 -1.498 -14.216 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.090 -0.827 -17.012 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.976 1.542 -16.360 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.235 0.660 -15.463 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.692 1.058 -14.671 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.942 0.358 -17.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.524 -0.203 -15.527 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.728 -1.380 -16.845 1.00 0.00 H new ATOM 441 N SER A 61 -9.521 -5.402 -14.860 1.00 0.00 N ATOM 442 CA SER A 61 -9.547 -6.502 -13.911 1.00 0.00 C ATOM 443 C SER A 61 -8.625 -7.627 -14.390 1.00 0.00 C ATOM 444 O SER A 61 -8.456 -7.825 -15.591 1.00 0.00 O ATOM 445 CB SER A 61 -10.970 -7.029 -13.716 1.00 0.00 C ATOM 446 OG SER A 61 -11.946 -6.004 -13.879 1.00 0.00 O ATOM 0 H SER A 61 -9.332 -5.675 -15.825 1.00 0.00 H new ATOM 0 HA SER A 61 -9.191 -6.133 -12.949 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.161 -7.829 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.063 -7.463 -12.720 1.00 0.00 H new ATOM 0 HG SER A 61 -12.070 -5.819 -14.833 1.00 0.00 H new ATOM 447 N ASN A 62 -8.056 -8.332 -13.424 1.00 0.00 N ATOM 448 CA ASN A 62 -7.142 -9.419 -13.731 1.00 0.00 C ATOM 449 C ASN A 62 -7.872 -10.755 -13.575 1.00 0.00 C ATOM 450 O ASN A 62 -7.494 -11.748 -14.193 1.00 0.00 O ATOM 451 CB ASN A 62 -5.945 -9.419 -12.776 1.00 0.00 C ATOM 452 CG ASN A 62 -4.638 -9.186 -13.536 1.00 0.00 C ATOM 453 OD1 ASN A 62 -3.852 -10.090 -13.764 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.450 -7.924 -13.913 1.00 0.00 N ATOM 0 H ASN A 62 -8.210 -8.172 -12.428 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.788 -9.283 -14.753 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.076 -8.642 -12.023 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.897 -10.371 -12.247 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.607 -7.665 -14.426 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.149 -7.215 -13.690 1.00 0.00 H new ATOM 455 N ASP A 63 -8.904 -10.735 -12.744 1.00 0.00 N ATOM 456 CA ASP A 63 -9.612 -11.955 -12.402 1.00 0.00 C ATOM 457 C ASP A 63 -10.486 -12.383 -13.584 1.00 0.00 C ATOM 458 O ASP A 63 -10.621 -11.644 -14.558 1.00 0.00 O ATOM 459 CB ASP A 63 -10.525 -11.742 -11.193 1.00 0.00 C ATOM 460 CG ASP A 63 -10.004 -10.743 -10.157 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.874 -9.542 -10.436 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.720 -11.251 -9.005 1.00 0.00 O ATOM 0 H ASP A 63 -9.266 -9.892 -12.298 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.871 -12.718 -12.165 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.498 -11.401 -11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.683 -12.702 -10.702 1.00 0.00 H new ATOM 463 N CYS A 64 -11.054 -13.572 -13.458 1.00 0.00 N ATOM 464 CA CYS A 64 -11.860 -14.132 -14.529 1.00 0.00 C ATOM 465 C CYS A 64 -13.106 -14.771 -13.910 1.00 0.00 C ATOM 466 O CYS A 64 -13.107 -15.960 -13.594 1.00 0.00 O ATOM 467 CB CYS A 64 -11.066 -15.133 -15.371 1.00 0.00 C ATOM 468 SG CYS A 64 -12.075 -16.150 -16.510 1.00 0.00 S ATOM 0 H CYS A 64 -10.972 -14.163 -12.631 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.161 -13.338 -15.213 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.324 -14.588 -15.954 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.520 -15.797 -14.701 1.00 0.00 H new ATOM 469 N PRO A 65 -14.163 -13.930 -13.749 1.00 0.00 N ATOM 470 CA PRO A 65 -15.429 -14.413 -13.225 1.00 0.00 C ATOM 471 C PRO A 65 -16.187 -15.220 -14.280 1.00 0.00 C ATOM 472 O PRO A 65 -16.151 -14.891 -15.464 1.00 0.00 O ATOM 473 CB PRO A 65 -16.175 -13.163 -12.786 1.00 0.00 C ATOM 474 CG PRO A 65 -15.502 -12.003 -13.501 1.00 0.00 C ATOM 475 CD PRO A 65 -14.181 -12.505 -14.062 1.00 0.00 C ATOM 0 HA PRO A 65 -15.303 -15.101 -12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.231 -13.225 -13.050 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.124 -13.037 -11.704 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.139 -11.627 -14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.334 -11.175 -12.812 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.117 -12.335 -15.137 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.336 -11.989 -13.607 1.00 0.00 H new ATOM 476 N ARG A 66 -16.856 -16.264 -13.812 1.00 0.00 N ATOM 477 CA ARG A 66 -17.658 -17.096 -14.693 1.00 0.00 C ATOM 478 C ARG A 66 -18.954 -16.376 -15.068 1.00 0.00 C ATOM 479 O ARG A 66 -19.356 -15.426 -14.399 1.00 0.00 O ATOM 480 CB ARG A 66 -17.997 -18.433 -14.031 1.00 0.00 C ATOM 481 CG ARG A 66 -16.766 -19.039 -13.356 1.00 0.00 C ATOM 482 CD ARG A 66 -16.826 -20.568 -13.375 1.00 0.00 C ATOM 483 NE ARG A 66 -15.725 -21.128 -12.561 1.00 0.00 N ATOM 484 CZ ARG A 66 -15.493 -22.440 -12.412 1.00 0.00 C ATOM 485 NH1 ARG A 66 -16.302 -23.333 -12.996 1.00 0.00 N ATOM 486 NH2 ARG A 66 -14.453 -22.857 -11.678 1.00 0.00 N ATOM 0 H ARG A 66 -16.859 -16.553 -12.834 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.072 -17.288 -15.592 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.786 -18.288 -13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.384 -19.125 -14.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.864 -18.701 -13.866 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.701 -18.687 -12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.786 -20.907 -12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.752 -20.930 -14.400 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.104 -20.475 -12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.094 -23.015 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.126 -24.331 -12.883 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.838 -22.176 -11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.276 -23.855 -11.565 1.00 0.00 H new ATOM 487 N TRP A 67 -19.574 -16.858 -16.136 1.00 0.00 N ATOM 488 CA TRP A 67 -20.842 -16.303 -16.579 1.00 0.00 C ATOM 489 C TRP A 67 -21.947 -16.883 -15.693 1.00 0.00 C ATOM 490 O TRP A 67 -22.432 -17.985 -15.942 1.00 0.00 O ATOM 491 CB TRP A 67 -21.068 -16.572 -18.068 1.00 0.00 C ATOM 492 CG TRP A 67 -21.764 -15.427 -18.808 1.00 0.00 C ATOM 493 CD1 TRP A 67 -21.219 -14.297 -19.279 1.00 0.00 C ATOM 494 CD2 TRP A 67 -23.164 -15.347 -19.145 1.00 0.00 C ATOM 495 NE1 TRP A 67 -22.162 -13.499 -19.892 1.00 0.00 N ATOM 496 CE2 TRP A 67 -23.383 -14.158 -19.809 1.00 0.00 C ATOM 497 CE3 TRP A 67 -24.213 -16.251 -18.898 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -24.641 -13.761 -20.279 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -25.463 -15.842 -19.375 1.00 0.00 C ATOM 500 CH2 TRP A 67 -25.700 -14.647 -20.045 1.00 0.00 C ATOM 0 H TRP A 67 -19.222 -17.626 -16.707 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.845 -15.218 -16.475 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -20.106 -16.766 -18.542 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.665 -17.477 -18.177 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -20.173 -14.043 -19.190 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -21.994 -12.592 -20.327 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -24.065 -17.187 -18.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -24.787 -12.823 -20.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -26.303 -16.501 -19.211 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -26.696 -14.403 -20.383 1.00 0.00 H new ATOM 501 N ASN A 68 -22.311 -16.114 -14.676 1.00 0.00 N ATOM 502 CA ASN A 68 -23.371 -16.524 -13.772 1.00 0.00 C ATOM 503 C ASN A 68 -24.602 -16.929 -14.585 1.00 0.00 C ATOM 504 O ASN A 68 -24.890 -16.332 -15.621 1.00 0.00 O ATOM 505 CB ASN A 68 -23.775 -15.378 -12.842 1.00 0.00 C ATOM 506 CG ASN A 68 -24.783 -15.850 -11.794 1.00 0.00 C ATOM 507 OD1 ASN A 68 -25.983 -15.665 -11.921 1.00 0.00 O ATOM 508 ND2 ASN A 68 -24.234 -16.470 -10.754 1.00 0.00 N ATOM 0 H ASN A 68 -21.891 -15.210 -14.459 1.00 0.00 H new ATOM 0 HA ASN A 68 -23.002 -17.359 -13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.890 -14.979 -12.346 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -24.207 -14.566 -13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -24.824 -16.824 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -23.222 -16.592 -10.709 1.00 0.00 H new ATOM 509 N ASP A 69 -25.295 -17.942 -14.085 1.00 0.00 N ATOM 510 CA ASP A 69 -26.462 -18.463 -14.775 1.00 0.00 C ATOM 511 C ASP A 69 -26.099 -18.754 -16.232 1.00 0.00 C ATOM 512 O ASP A 69 -26.378 -17.948 -17.118 1.00 0.00 O ATOM 513 CB ASP A 69 -27.607 -17.448 -14.767 1.00 0.00 C ATOM 514 CG ASP A 69 -28.909 -17.938 -15.404 1.00 0.00 C ATOM 515 OD1 ASP A 69 -29.748 -18.564 -14.740 1.00 0.00 O ATOM 516 OD2 ASP A 69 -29.047 -17.647 -16.653 1.00 0.00 O ATOM 0 H ASP A 69 -25.070 -18.416 -13.210 1.00 0.00 H new ATOM 0 HA ASP A 69 -26.781 -19.369 -14.260 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -27.810 -17.160 -13.736 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -27.280 -16.549 -15.290 1.00 0.00 H new ATOM 517 N LEU A 70 -25.507 -19.950 -16.525 1.00 0.00 N ATOM 518 CA LEU A 70 -25.304 -20.354 -17.930 1.00 0.00 C ATOM 519 C LEU A 70 -26.610 -20.782 -18.535 1.00 0.00 C ATOM 520 O LEU A 70 -27.061 -21.925 -18.477 1.00 0.00 O ATOM 521 CB LEU A 70 -24.258 -21.471 -18.044 1.00 0.00 C ATOM 522 CG LEU A 70 -22.844 -20.954 -17.740 1.00 0.00 C ATOM 523 CD1 LEU A 70 -21.848 -22.118 -17.742 1.00 0.00 C ATOM 524 CD2 LEU A 70 -22.416 -19.891 -18.760 1.00 0.00 C ATOM 525 OXT LEU A 70 -27.318 -19.807 -19.114 1.00 0.00 O ATOM 0 H LEU A 70 -25.177 -20.620 -15.830 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.925 -19.494 -18.482 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -24.508 -22.276 -17.353 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -24.284 -21.893 -19.049 1.00 0.00 H new ATOM 0 HG LEU A 70 -22.854 -20.493 -16.752 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.848 -21.742 -17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -22.135 -22.844 -16.981 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.851 -22.598 -18.721 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -21.411 -19.542 -18.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -22.422 -20.323 -19.761 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.110 -19.051 -18.723 1.00 0.00 H new TER 526 LEU A 70