USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 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 -100:sc= 1 USER MOD Set 1.2: A 61 SER OG : rot 80:sc= 0.734 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.118 (180deg=0) USER MOD Single : A 8 SER OG : rot 40:sc= 0.828 USER MOD Single : A 10 SER OG : rot -18:sc= 0.0836 USER MOD Single : A 11 ASN : amide:sc= -0.251 K(o=-0.25,f=-7.3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 1.29 (180deg=0.227) USER MOD Single : A 26 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.3) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.82 (180deg=0.625) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.111 (180deg=0.104) 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= -0.772 K(o=-0.77,f=-3.1!) USER MOD Single : A 68 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.261 -0.674 2.343 1.00 0.00 N ATOM 2 CA GLY A 1 6.844 -0.705 2.022 1.00 0.00 C ATOM 3 C GLY A 1 6.339 -2.145 1.914 1.00 0.00 C ATOM 4 O GLY A 1 7.127 -3.089 1.958 1.00 0.00 O ATOM 0 H1 GLY A 1 8.388 -0.344 3.321 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.660 -1.629 2.246 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.750 -0.027 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.281 -0.175 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.669 -0.183 1.082 1.00 0.00 H new ATOM 5 N GLU A 2 5.027 -2.269 1.772 1.00 0.00 N ATOM 6 CA GLU A 2 4.407 -3.578 1.657 1.00 0.00 C ATOM 7 C GLU A 2 3.208 -3.517 0.708 1.00 0.00 C ATOM 8 O GLU A 2 2.105 -3.161 1.117 1.00 0.00 O ATOM 9 CB GLU A 2 3.991 -4.109 3.031 1.00 0.00 C ATOM 10 CG GLU A 2 3.490 -5.552 2.931 1.00 0.00 C ATOM 11 CD GLU A 2 4.617 -6.496 2.510 1.00 0.00 C ATOM 12 OE1 GLU A 2 5.491 -6.823 3.327 1.00 0.00 O ATOM 13 OE2 GLU A 2 4.564 -6.893 1.283 1.00 0.00 O ATOM 0 H GLU A 2 4.377 -1.484 1.734 1.00 0.00 H new ATOM 0 HA GLU A 2 5.139 -4.270 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.838 -4.061 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.208 -3.476 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.087 -5.868 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.675 -5.608 2.209 1.00 0.00 H new ATOM 14 N GLU A 3 3.468 -3.869 -0.543 1.00 0.00 N ATOM 15 CA GLU A 3 2.425 -3.854 -1.555 1.00 0.00 C ATOM 16 C GLU A 3 2.826 -4.733 -2.742 1.00 0.00 C ATOM 17 O GLU A 3 3.017 -4.234 -3.851 1.00 0.00 O ATOM 18 CB GLU A 3 2.120 -2.426 -2.008 1.00 0.00 C ATOM 19 CG GLU A 3 0.789 -2.361 -2.761 1.00 0.00 C ATOM 20 CD GLU A 3 0.590 -0.988 -3.406 1.00 0.00 C ATOM 21 OE1 GLU A 3 1.550 -0.212 -3.521 1.00 0.00 O ATOM 22 OE2 GLU A 3 -0.614 -0.738 -3.797 1.00 0.00 O ATOM 0 H GLU A 3 4.384 -4.166 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 3 1.514 -4.262 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.084 -1.766 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.923 -2.065 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.763 -3.134 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.032 -2.566 -2.074 1.00 0.00 H new ATOM 23 N CYS A 4 2.941 -6.024 -2.470 1.00 0.00 N ATOM 24 CA CYS A 4 3.329 -6.974 -3.499 1.00 0.00 C ATOM 25 C CYS A 4 2.167 -7.116 -4.485 1.00 0.00 C ATOM 26 O CYS A 4 1.008 -6.938 -4.113 1.00 0.00 O ATOM 27 CB CYS A 4 3.737 -8.321 -2.899 1.00 0.00 C ATOM 28 SG CYS A 4 5.133 -8.245 -1.719 1.00 0.00 S ATOM 0 H CYS A 4 2.772 -6.435 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 4 4.208 -6.604 -4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.874 -8.753 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.002 -8.999 -3.710 1.00 0.00 H new ATOM 29 N ASP A 5 2.519 -7.437 -5.721 1.00 0.00 N ATOM 30 CA ASP A 5 1.518 -7.630 -6.756 1.00 0.00 C ATOM 31 C ASP A 5 2.068 -8.582 -7.821 1.00 0.00 C ATOM 32 O ASP A 5 2.027 -8.279 -9.012 1.00 0.00 O ATOM 33 CB ASP A 5 1.172 -6.306 -7.441 1.00 0.00 C ATOM 34 CG ASP A 5 0.631 -5.219 -6.510 1.00 0.00 C ATOM 35 OD1 ASP A 5 -0.567 -5.419 -6.077 1.00 0.00 O ATOM 36 OD2 ASP A 5 1.319 -4.230 -6.215 1.00 0.00 O ATOM 0 H ASP A 5 3.483 -7.568 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 5 0.623 -8.039 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.065 -5.927 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.433 -6.499 -8.218 1.00 0.00 H new ATOM 37 N CYS A 6 2.570 -9.715 -7.351 1.00 0.00 N ATOM 38 CA CYS A 6 3.176 -10.691 -8.242 1.00 0.00 C ATOM 39 C CYS A 6 2.573 -12.062 -7.932 1.00 0.00 C ATOM 40 O CYS A 6 2.244 -12.355 -6.784 1.00 0.00 O ATOM 41 CB CYS A 6 4.701 -10.697 -8.121 1.00 0.00 C ATOM 42 SG CYS A 6 5.493 -9.060 -8.322 1.00 0.00 S ATOM 0 H CYS A 6 2.570 -9.979 -6.366 1.00 0.00 H new ATOM 0 HA CYS A 6 2.961 -10.426 -9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.972 -11.099 -7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.108 -11.376 -8.870 1.00 0.00 H new ATOM 43 N GLY A 7 2.446 -12.867 -8.977 1.00 0.00 N ATOM 44 CA GLY A 7 1.919 -14.212 -8.826 1.00 0.00 C ATOM 45 C GLY A 7 3.051 -15.240 -8.756 1.00 0.00 C ATOM 46 O GLY A 7 2.807 -16.424 -8.532 1.00 0.00 O ATOM 0 H GLY A 7 2.699 -12.613 -9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.314 -14.270 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.262 -14.445 -9.664 1.00 0.00 H new ATOM 47 N SER A 8 4.267 -14.748 -8.950 1.00 0.00 N ATOM 48 CA SER A 8 5.437 -15.609 -8.915 1.00 0.00 C ATOM 49 C SER A 8 6.707 -14.761 -8.829 1.00 0.00 C ATOM 50 O SER A 8 6.701 -13.589 -9.199 1.00 0.00 O ATOM 51 CB SER A 8 5.488 -16.519 -10.144 1.00 0.00 C ATOM 52 OG SER A 8 4.828 -17.761 -9.916 1.00 0.00 O ATOM 0 H SER A 8 4.467 -13.764 -9.132 1.00 0.00 H new ATOM 0 HA SER A 8 5.370 -16.242 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.024 -16.012 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.527 -16.705 -10.415 1.00 0.00 H new ATOM 0 HG SER A 8 4.007 -17.606 -9.404 1.00 0.00 H new ATOM 53 N PRO A 9 7.795 -15.404 -8.325 1.00 0.00 N ATOM 54 CA PRO A 9 9.084 -14.741 -8.242 1.00 0.00 C ATOM 55 C PRO A 9 9.740 -14.644 -9.621 1.00 0.00 C ATOM 56 O PRO A 9 10.307 -13.610 -9.971 1.00 0.00 O ATOM 57 CB PRO A 9 9.892 -15.573 -7.258 1.00 0.00 C ATOM 58 CG PRO A 9 9.195 -16.922 -7.183 1.00 0.00 C ATOM 59 CD PRO A 9 7.824 -16.774 -7.820 1.00 0.00 C ATOM 0 HA PRO A 9 9.005 -13.709 -7.900 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.923 -15.684 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.926 -15.096 -6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.778 -17.682 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.101 -17.246 -6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.681 -17.496 -8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.029 -16.945 -7.094 1.00 0.00 H new ATOM 60 N SER A 10 9.640 -15.735 -10.366 1.00 0.00 N ATOM 61 CA SER A 10 10.253 -15.800 -11.683 1.00 0.00 C ATOM 62 C SER A 10 9.515 -14.873 -12.650 1.00 0.00 C ATOM 63 O SER A 10 10.020 -14.566 -13.728 1.00 0.00 O ATOM 64 CB SER A 10 10.256 -17.233 -12.218 1.00 0.00 C ATOM 65 OG SER A 10 10.880 -17.324 -13.496 1.00 0.00 O ATOM 0 H SER A 10 9.144 -16.581 -10.084 1.00 0.00 H new ATOM 0 HA SER A 10 11.289 -15.472 -11.595 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.776 -17.882 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.231 -17.596 -12.288 1.00 0.00 H new ATOM 0 HG SER A 10 10.922 -16.434 -13.904 1.00 0.00 H new ATOM 66 N ASN A 11 8.330 -14.454 -12.230 1.00 0.00 N ATOM 67 CA ASN A 11 7.529 -13.549 -13.035 1.00 0.00 C ATOM 68 C ASN A 11 8.423 -12.439 -13.592 1.00 0.00 C ATOM 69 O ASN A 11 8.901 -11.588 -12.844 1.00 0.00 O ATOM 70 CB ASN A 11 6.429 -12.893 -12.197 1.00 0.00 C ATOM 71 CG ASN A 11 5.559 -11.974 -13.057 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.565 -10.761 -12.916 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.813 -12.615 -13.951 1.00 0.00 N ATOM 0 H ASN A 11 7.906 -14.725 -11.343 1.00 0.00 H new ATOM 0 HA ASN A 11 7.074 -14.127 -13.839 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.808 -13.663 -11.738 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.878 -12.320 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.197 -12.090 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.856 -13.632 -14.016 1.00 0.00 H new ATOM 74 N PRO A 12 8.627 -12.486 -14.936 1.00 0.00 N ATOM 75 CA PRO A 12 9.527 -11.549 -15.589 1.00 0.00 C ATOM 76 C PRO A 12 8.887 -10.164 -15.700 1.00 0.00 C ATOM 77 O PRO A 12 9.570 -9.183 -15.994 1.00 0.00 O ATOM 78 CB PRO A 12 9.830 -12.174 -16.941 1.00 0.00 C ATOM 79 CG PRO A 12 8.733 -13.198 -17.183 1.00 0.00 C ATOM 80 CD PRO A 12 8.011 -13.429 -15.865 1.00 0.00 C ATOM 0 HA PRO A 12 10.446 -11.384 -15.026 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.839 -11.419 -17.727 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.812 -12.647 -16.941 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.037 -12.840 -17.942 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.157 -14.131 -17.555 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.941 -13.247 -15.962 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.130 -14.457 -15.523 1.00 0.00 H new ATOM 81 N CYS A 13 7.585 -10.127 -15.459 1.00 0.00 N ATOM 82 CA CYS A 13 6.845 -8.879 -15.542 1.00 0.00 C ATOM 83 C CYS A 13 7.137 -8.063 -14.281 1.00 0.00 C ATOM 84 O CYS A 13 7.142 -6.833 -14.321 1.00 0.00 O ATOM 85 CB CYS A 13 5.346 -9.123 -15.727 1.00 0.00 C ATOM 86 SG CYS A 13 4.863 -9.695 -17.398 1.00 0.00 S ATOM 0 H CYS A 13 7.024 -10.940 -15.206 1.00 0.00 H new ATOM 0 HA CYS A 13 7.168 -8.319 -16.420 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.020 -9.863 -14.996 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.812 -8.199 -15.506 1.00 0.00 H new ATOM 87 N CYS A 14 7.376 -8.778 -13.192 1.00 0.00 N ATOM 88 CA CYS A 14 7.794 -8.142 -11.955 1.00 0.00 C ATOM 89 C CYS A 14 9.312 -7.952 -12.001 1.00 0.00 C ATOM 90 O CYS A 14 9.985 -8.513 -12.864 1.00 0.00 O ATOM 91 CB CYS A 14 7.357 -8.947 -10.729 1.00 0.00 C ATOM 92 SG CYS A 14 5.564 -8.880 -10.367 1.00 0.00 S ATOM 0 H CYS A 14 7.288 -9.793 -13.141 1.00 0.00 H new ATOM 0 HA CYS A 14 7.310 -7.170 -11.862 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.646 -9.988 -10.873 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.903 -8.583 -9.859 1.00 0.00 H new ATOM 93 N ASP A 15 9.806 -7.159 -11.062 1.00 0.00 N ATOM 94 CA ASP A 15 11.226 -6.855 -11.008 1.00 0.00 C ATOM 95 C ASP A 15 11.931 -7.888 -10.126 1.00 0.00 C ATOM 96 O ASP A 15 13.069 -7.679 -9.709 1.00 0.00 O ATOM 97 CB ASP A 15 11.471 -5.472 -10.404 1.00 0.00 C ATOM 98 CG ASP A 15 12.785 -4.809 -10.819 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.174 -4.839 -11.996 1.00 0.00 O ATOM 100 OD2 ASP A 15 13.432 -4.234 -9.862 1.00 0.00 O ATOM 0 H ASP A 15 9.248 -6.717 -10.332 1.00 0.00 H new ATOM 0 HA ASP A 15 11.614 -6.877 -12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.646 -4.818 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.452 -5.558 -9.318 1.00 0.00 H new ATOM 101 N ALA A 16 11.225 -8.979 -9.868 1.00 0.00 N ATOM 102 CA ALA A 16 11.793 -10.073 -9.099 1.00 0.00 C ATOM 103 C ALA A 16 12.793 -9.512 -8.085 1.00 0.00 C ATOM 104 O ALA A 16 13.956 -9.915 -8.067 1.00 0.00 O ATOM 105 CB ALA A 16 12.432 -11.088 -10.048 1.00 0.00 C ATOM 0 H ALA A 16 10.265 -9.129 -10.178 1.00 0.00 H new ATOM 0 HA ALA A 16 11.015 -10.594 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.858 -11.908 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.674 -11.478 -10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.220 -10.602 -10.623 1.00 0.00 H new ATOM 106 N ALA A 17 12.304 -8.592 -7.267 1.00 0.00 N ATOM 107 CA ALA A 17 13.142 -7.968 -6.258 1.00 0.00 C ATOM 108 C ALA A 17 12.260 -7.196 -5.274 1.00 0.00 C ATOM 109 O ALA A 17 12.323 -7.423 -4.067 1.00 0.00 O ATOM 110 CB ALA A 17 14.179 -7.071 -6.938 1.00 0.00 C ATOM 0 H ALA A 17 11.338 -8.264 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 17 13.686 -8.724 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.808 -6.603 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.799 -7.672 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.670 -6.299 -7.515 1.00 0.00 H new ATOM 111 N THR A 18 11.456 -6.300 -5.828 1.00 0.00 N ATOM 112 CA THR A 18 10.619 -5.439 -5.009 1.00 0.00 C ATOM 113 C THR A 18 9.302 -6.140 -4.672 1.00 0.00 C ATOM 114 O THR A 18 8.419 -5.547 -4.055 1.00 0.00 O ATOM 115 CB THR A 18 10.430 -4.116 -5.755 1.00 0.00 C ATOM 116 OG1 THR A 18 11.738 -3.785 -6.213 1.00 0.00 O ATOM 117 CG2 THR A 18 10.061 -2.964 -4.819 1.00 0.00 C ATOM 0 H THR A 18 11.366 -6.152 -6.833 1.00 0.00 H new ATOM 0 HA THR A 18 11.091 -5.224 -4.050 1.00 0.00 H new ATOM 0 HB THR A 18 9.653 -4.234 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.707 -2.940 -6.709 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.939 -2.049 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.128 -3.196 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.854 -2.824 -4.084 1.00 0.00 H new ATOM 118 N CYS A 19 9.212 -7.393 -5.093 1.00 0.00 N ATOM 119 CA CYS A 19 8.005 -8.172 -4.872 1.00 0.00 C ATOM 120 C CYS A 19 6.833 -7.438 -5.530 1.00 0.00 C ATOM 121 O CYS A 19 5.674 -7.724 -5.234 1.00 0.00 O ATOM 122 CB CYS A 19 7.757 -8.422 -3.383 1.00 0.00 C ATOM 123 SG CYS A 19 6.592 -7.256 -2.592 1.00 0.00 S ATOM 0 H CYS A 19 9.955 -7.888 -5.586 1.00 0.00 H new ATOM 0 HA CYS A 19 8.117 -9.157 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.375 -9.435 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.711 -8.373 -2.857 1.00 0.00 H new ATOM 124 N LYS A 20 7.177 -6.508 -6.408 1.00 0.00 N ATOM 125 CA LYS A 20 6.181 -5.628 -6.995 1.00 0.00 C ATOM 126 C LYS A 20 6.475 -5.453 -8.485 1.00 0.00 C ATOM 127 O LYS A 20 7.617 -5.607 -8.919 1.00 0.00 O ATOM 128 CB LYS A 20 6.110 -4.309 -6.223 1.00 0.00 C ATOM 129 CG LYS A 20 4.918 -3.467 -6.682 1.00 0.00 C ATOM 130 CD LYS A 20 4.761 -2.218 -5.814 1.00 0.00 C ATOM 131 CE LYS A 20 3.572 -1.374 -6.277 1.00 0.00 C ATOM 132 NZ LYS A 20 3.440 -0.160 -5.440 1.00 0.00 N ATOM 0 H LYS A 20 8.132 -6.345 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 20 5.188 -6.071 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.026 -4.513 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.033 -3.748 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.054 -3.175 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.007 -4.064 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.621 -2.510 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.673 -1.623 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.705 -1.090 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.657 -1.963 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.511 -0.160 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.190 -0.152 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.526 0.686 -6.039 1.00 0.00 H new ATOM 133 N LEU A 21 5.428 -5.132 -9.230 1.00 0.00 N ATOM 134 CA LEU A 21 5.543 -5.015 -10.674 1.00 0.00 C ATOM 135 C LEU A 21 6.584 -3.946 -11.013 1.00 0.00 C ATOM 136 O LEU A 21 6.976 -3.161 -10.152 1.00 0.00 O ATOM 137 CB LEU A 21 4.171 -4.757 -11.301 1.00 0.00 C ATOM 138 CG LEU A 21 3.136 -5.871 -11.130 1.00 0.00 C ATOM 139 CD1 LEU A 21 1.730 -5.292 -10.962 1.00 0.00 C ATOM 140 CD2 LEU A 21 3.209 -6.871 -12.287 1.00 0.00 C ATOM 0 H LEU A 21 4.495 -4.949 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 21 5.895 -5.952 -11.106 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.764 -3.841 -10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.309 -4.576 -12.367 1.00 0.00 H new ATOM 0 HG LEU A 21 3.371 -6.417 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.014 -6.105 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.703 -4.652 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.470 -4.706 -11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.463 -7.652 -12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.014 -6.355 -13.227 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.202 -7.319 -12.318 1.00 0.00 H new ATOM 141 N ARG A 22 7.003 -3.952 -12.270 1.00 0.00 N ATOM 142 CA ARG A 22 7.796 -2.856 -12.799 1.00 0.00 C ATOM 143 C ARG A 22 6.882 -1.750 -13.332 1.00 0.00 C ATOM 144 O ARG A 22 5.700 -1.982 -13.580 1.00 0.00 O ATOM 145 CB ARG A 22 8.716 -3.334 -13.924 1.00 0.00 C ATOM 146 CG ARG A 22 9.986 -3.972 -13.360 1.00 0.00 C ATOM 147 CD ARG A 22 11.044 -4.144 -14.451 1.00 0.00 C ATOM 148 NE ARG A 22 11.642 -5.496 -14.369 1.00 0.00 N ATOM 149 CZ ARG A 22 11.097 -6.593 -14.910 1.00 0.00 C ATOM 150 NH1 ARG A 22 9.879 -6.530 -15.466 1.00 0.00 N ATOM 151 NH2 ARG A 22 11.767 -7.753 -14.893 1.00 0.00 N ATOM 0 H ARG A 22 6.808 -4.699 -12.937 1.00 0.00 H new ATOM 0 HA ARG A 22 8.408 -2.467 -11.986 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.189 -4.056 -14.548 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.981 -2.493 -14.564 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.384 -3.351 -12.557 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.747 -4.942 -12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.593 -3.996 -15.432 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.820 -3.387 -14.339 1.00 0.00 H new ATOM 0 HE ARG A 22 12.525 -5.598 -13.869 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.368 -5.647 -15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.463 -7.365 -15.878 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.693 -7.801 -14.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.351 -8.588 -15.305 1.00 0.00 H new ATOM 152 N PRO A 23 7.481 -0.540 -13.496 1.00 0.00 N ATOM 153 CA PRO A 23 6.769 0.570 -14.106 1.00 0.00 C ATOM 154 C PRO A 23 6.654 0.383 -15.620 1.00 0.00 C ATOM 155 O PRO A 23 7.663 0.334 -16.321 1.00 0.00 O ATOM 156 CB PRO A 23 7.564 1.807 -13.719 1.00 0.00 C ATOM 157 CG PRO A 23 8.937 1.307 -13.304 1.00 0.00 C ATOM 158 CD PRO A 23 8.846 -0.197 -13.108 1.00 0.00 C ATOM 0 HA PRO A 23 5.739 0.650 -13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.638 2.501 -14.556 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.080 2.343 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.678 1.548 -14.066 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.258 1.793 -12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.576 -0.721 -13.724 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.045 -0.474 -12.073 1.00 0.00 H new ATOM 159 N GLY A 24 5.415 0.284 -16.079 1.00 0.00 N ATOM 160 CA GLY A 24 5.157 -0.100 -17.457 1.00 0.00 C ATOM 161 C GLY A 24 4.357 -1.403 -17.522 1.00 0.00 C ATOM 162 O GLY A 24 3.820 -1.755 -18.572 1.00 0.00 O ATOM 0 H GLY A 24 4.579 0.463 -15.522 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.608 0.694 -17.963 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.101 -0.222 -17.987 1.00 0.00 H new ATOM 163 N ALA A 25 4.303 -2.085 -16.387 1.00 0.00 N ATOM 164 CA ALA A 25 3.544 -3.319 -16.291 1.00 0.00 C ATOM 165 C ALA A 25 2.465 -3.168 -15.216 1.00 0.00 C ATOM 166 O ALA A 25 2.713 -2.587 -14.161 1.00 0.00 O ATOM 167 CB ALA A 25 4.496 -4.482 -16.002 1.00 0.00 C ATOM 0 H ALA A 25 4.773 -1.805 -15.526 1.00 0.00 H new ATOM 0 HA ALA A 25 3.041 -3.535 -17.234 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.927 -5.409 -15.930 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.224 -4.565 -16.809 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.016 -4.301 -15.061 1.00 0.00 H new ATOM 168 N GLN A 26 1.292 -3.702 -15.522 1.00 0.00 N ATOM 169 CA GLN A 26 0.149 -3.554 -14.636 1.00 0.00 C ATOM 170 C GLN A 26 -0.392 -4.928 -14.234 1.00 0.00 C ATOM 171 O GLN A 26 -1.388 -5.021 -13.518 1.00 0.00 O ATOM 172 CB GLN A 26 -0.942 -2.703 -15.288 1.00 0.00 C ATOM 173 CG GLN A 26 -1.484 -1.660 -14.309 1.00 0.00 C ATOM 174 CD GLN A 26 -1.824 -0.355 -15.031 1.00 0.00 C ATOM 175 OE1 GLN A 26 -2.487 -0.336 -16.055 1.00 0.00 O ATOM 176 NE2 GLN A 26 -1.334 0.733 -14.441 1.00 0.00 N ATOM 0 H GLN A 26 1.108 -4.238 -16.370 1.00 0.00 H new ATOM 0 HA GLN A 26 0.476 -3.037 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.540 -2.204 -16.170 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.755 -3.345 -15.627 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.374 -2.049 -13.814 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.745 -1.468 -13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.787 0.646 -13.585 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.506 1.654 -14.845 1.00 0.00 H new ATOM 177 N CYS A 27 0.288 -5.959 -14.712 1.00 0.00 N ATOM 178 CA CYS A 27 -0.181 -7.320 -14.514 1.00 0.00 C ATOM 179 C CYS A 27 1.040 -8.240 -14.423 1.00 0.00 C ATOM 180 O CYS A 27 2.075 -7.965 -15.028 1.00 0.00 O ATOM 181 CB CYS A 27 -1.140 -7.754 -15.623 1.00 0.00 C ATOM 182 SG CYS A 27 -2.761 -6.904 -15.612 1.00 0.00 S ATOM 0 H CYS A 27 1.160 -5.880 -15.236 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.751 -7.380 -13.587 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.661 -7.580 -16.587 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.308 -8.828 -15.539 1.00 0.00 H new ATOM 183 N ALA A 28 0.877 -9.312 -13.662 1.00 0.00 N ATOM 184 CA ALA A 28 1.868 -10.374 -13.643 1.00 0.00 C ATOM 185 C ALA A 28 1.345 -11.569 -14.443 1.00 0.00 C ATOM 186 O ALA A 28 2.110 -12.241 -15.133 1.00 0.00 O ATOM 187 CB ALA A 28 2.196 -10.741 -12.195 1.00 0.00 C ATOM 0 H ALA A 28 0.073 -9.468 -13.054 1.00 0.00 H new ATOM 0 HA ALA A 28 2.794 -10.042 -14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.940 -11.538 -12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.592 -9.866 -11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.291 -11.081 -11.692 1.00 0.00 H new ATOM 188 N ASP A 29 0.046 -11.796 -14.325 1.00 0.00 N ATOM 189 CA ASP A 29 -0.586 -12.908 -15.014 1.00 0.00 C ATOM 190 C ASP A 29 -2.091 -12.885 -14.741 1.00 0.00 C ATOM 191 O ASP A 29 -2.534 -12.338 -13.731 1.00 0.00 O ATOM 192 CB ASP A 29 -0.036 -14.247 -14.517 1.00 0.00 C ATOM 193 CG ASP A 29 0.024 -14.397 -12.995 1.00 0.00 C ATOM 194 OD1 ASP A 29 1.014 -14.012 -12.355 1.00 0.00 O ATOM 195 OD2 ASP A 29 -1.015 -14.941 -12.459 1.00 0.00 O ATOM 0 H ASP A 29 -0.587 -11.228 -13.762 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.380 -12.805 -16.079 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.653 -15.049 -14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.968 -14.383 -14.920 1.00 0.00 H new ATOM 196 N GLY A 30 -2.835 -13.484 -15.658 1.00 0.00 N ATOM 197 CA GLY A 30 -4.279 -13.565 -15.514 1.00 0.00 C ATOM 198 C GLY A 30 -4.953 -13.797 -16.867 1.00 0.00 C ATOM 199 O GLY A 30 -4.408 -13.431 -17.908 1.00 0.00 O ATOM 0 H GLY A 30 -2.466 -13.918 -16.504 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.535 -14.376 -14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.656 -12.644 -15.069 1.00 0.00 H new ATOM 200 N LEU A 31 -6.130 -14.403 -16.811 1.00 0.00 N ATOM 201 CA LEU A 31 -6.926 -14.607 -18.009 1.00 0.00 C ATOM 202 C LEU A 31 -7.424 -13.255 -18.521 1.00 0.00 C ATOM 203 O LEU A 31 -7.639 -13.082 -19.720 1.00 0.00 O ATOM 204 CB LEU A 31 -8.045 -15.616 -17.744 1.00 0.00 C ATOM 205 CG LEU A 31 -7.691 -17.087 -17.971 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.609 -18.003 -17.159 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.707 -17.431 -19.461 1.00 0.00 C ATOM 0 H LEU A 31 -6.552 -14.760 -15.953 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.318 -15.043 -18.801 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.377 -15.498 -16.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.892 -15.364 -18.382 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.674 -17.253 -17.614 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.336 -19.043 -17.338 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.502 -17.778 -16.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.644 -17.842 -17.461 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.452 -18.482 -19.594 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.701 -17.244 -19.867 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.979 -16.812 -19.985 1.00 0.00 H new ATOM 208 N CYS A 32 -7.596 -12.331 -17.588 1.00 0.00 N ATOM 209 CA CYS A 32 -8.103 -11.012 -17.925 1.00 0.00 C ATOM 210 C CYS A 32 -6.940 -10.020 -17.868 1.00 0.00 C ATOM 211 O CYS A 32 -7.142 -8.836 -17.603 1.00 0.00 O ATOM 212 CB CYS A 32 -9.253 -10.596 -17.004 1.00 0.00 C ATOM 213 SG CYS A 32 -10.336 -9.281 -17.672 1.00 0.00 S ATOM 0 H CYS A 32 -7.393 -12.470 -16.598 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.518 -11.026 -18.933 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.862 -11.474 -16.788 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.836 -10.256 -16.056 1.00 0.00 H new ATOM 214 N CYS A 33 -5.748 -10.541 -18.123 1.00 0.00 N ATOM 215 CA CYS A 33 -4.565 -9.701 -18.190 1.00 0.00 C ATOM 216 C CYS A 33 -3.672 -10.221 -19.319 1.00 0.00 C ATOM 217 O CYS A 33 -3.670 -11.414 -19.615 1.00 0.00 O ATOM 218 CB CYS A 33 -3.825 -9.657 -16.851 1.00 0.00 C ATOM 219 SG CYS A 33 -4.179 -8.182 -15.828 1.00 0.00 S ATOM 0 H CYS A 33 -5.577 -11.533 -18.285 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.857 -8.672 -18.402 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.083 -10.549 -16.280 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.753 -9.700 -17.043 1.00 0.00 H new ATOM 220 N ASP A 34 -2.931 -9.298 -19.916 1.00 0.00 N ATOM 221 CA ASP A 34 -1.882 -9.670 -20.850 1.00 0.00 C ATOM 222 C ASP A 34 -0.634 -10.087 -20.069 1.00 0.00 C ATOM 223 O ASP A 34 -0.639 -10.086 -18.838 1.00 0.00 O ATOM 224 CB ASP A 34 -1.504 -8.493 -21.752 1.00 0.00 C ATOM 225 CG ASP A 34 -1.014 -8.879 -23.149 1.00 0.00 C ATOM 226 OD1 ASP A 34 -0.711 -10.051 -23.417 1.00 0.00 O ATOM 227 OD2 ASP A 34 -0.948 -7.905 -23.992 1.00 0.00 O ATOM 0 H ASP A 34 -3.037 -8.294 -19.771 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.253 -10.490 -21.464 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.371 -7.841 -21.855 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.725 -7.912 -21.258 1.00 0.00 H new ATOM 228 N GLN A 35 0.404 -10.433 -20.815 1.00 0.00 N ATOM 229 CA GLN A 35 1.637 -10.905 -20.209 1.00 0.00 C ATOM 230 C GLN A 35 2.470 -9.722 -19.710 1.00 0.00 C ATOM 231 O GLN A 35 3.670 -9.651 -19.970 1.00 0.00 O ATOM 232 CB GLN A 35 2.437 -11.764 -21.191 1.00 0.00 C ATOM 233 CG GLN A 35 2.747 -10.987 -22.472 1.00 0.00 C ATOM 234 CD GLN A 35 4.100 -11.406 -23.052 1.00 0.00 C ATOM 235 OE1 GLN A 35 5.087 -10.693 -22.971 1.00 0.00 O ATOM 236 NE2 GLN A 35 4.090 -12.598 -23.640 1.00 0.00 N ATOM 0 H GLN A 35 0.417 -10.396 -21.834 1.00 0.00 H new ATOM 0 HA GLN A 35 1.382 -11.531 -19.354 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.367 -12.087 -20.723 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.873 -12.664 -21.435 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.962 -11.162 -23.207 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.753 -9.918 -22.261 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.229 -13.143 -23.673 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.944 -12.967 -24.059 1.00 0.00 H new ATOM 237 N CYS A 36 1.800 -8.823 -19.004 1.00 0.00 N ATOM 238 CA CYS A 36 2.490 -7.749 -18.312 1.00 0.00 C ATOM 239 C CYS A 36 1.499 -6.606 -18.089 1.00 0.00 C ATOM 240 O CYS A 36 1.588 -5.886 -17.096 1.00 0.00 O ATOM 241 CB CYS A 36 3.731 -7.287 -19.080 1.00 0.00 C ATOM 242 SG CYS A 36 5.305 -8.025 -18.510 1.00 0.00 S ATOM 0 H CYS A 36 0.786 -8.817 -18.897 1.00 0.00 H new ATOM 0 HA CYS A 36 2.852 -8.107 -17.348 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.597 -7.523 -20.136 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.806 -6.202 -19.003 1.00 0.00 H new ATOM 243 N ARG A 37 0.575 -6.474 -19.031 1.00 0.00 N ATOM 244 CA ARG A 37 -0.377 -5.377 -18.997 1.00 0.00 C ATOM 245 C ARG A 37 -1.801 -5.914 -18.850 1.00 0.00 C ATOM 246 O ARG A 37 -2.014 -7.126 -18.844 1.00 0.00 O ATOM 247 CB ARG A 37 -0.287 -4.530 -20.268 1.00 0.00 C ATOM 248 CG ARG A 37 0.934 -3.609 -20.228 1.00 0.00 C ATOM 249 CD ARG A 37 0.628 -2.326 -19.451 1.00 0.00 C ATOM 250 NE ARG A 37 -0.454 -1.573 -20.125 1.00 0.00 N ATOM 251 CZ ARG A 37 -1.250 -0.689 -19.508 1.00 0.00 C ATOM 252 NH1 ARG A 37 -0.928 -0.231 -18.291 1.00 0.00 N ATOM 253 NH2 ARG A 37 -2.370 -0.263 -20.109 1.00 0.00 N ATOM 0 H ARG A 37 0.466 -7.109 -19.822 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.131 -4.751 -18.139 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.227 -5.181 -21.140 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.193 -3.934 -20.377 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.771 -4.129 -19.763 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.239 -3.359 -21.244 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.332 -2.571 -18.431 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.524 -1.709 -19.383 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.603 -1.737 -21.121 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.076 -0.555 -17.833 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.535 0.442 -17.822 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.616 -0.612 -21.035 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.976 0.410 -19.640 1.00 0.00 H new ATOM 254 N PHE A 38 -2.742 -4.988 -18.738 1.00 0.00 N ATOM 255 CA PHE A 38 -4.147 -5.349 -18.681 1.00 0.00 C ATOM 256 C PHE A 38 -4.729 -5.510 -20.088 1.00 0.00 C ATOM 257 O PHE A 38 -4.036 -5.285 -21.079 1.00 0.00 O ATOM 258 CB PHE A 38 -4.875 -4.209 -17.969 1.00 0.00 C ATOM 259 CG PHE A 38 -5.115 -4.459 -16.478 1.00 0.00 C ATOM 260 CD1 PHE A 38 -5.856 -5.527 -16.078 1.00 0.00 C ATOM 261 CD2 PHE A 38 -4.586 -3.614 -15.554 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.077 -5.759 -14.695 1.00 0.00 C ATOM 263 CE2 PHE A 38 -4.808 -3.845 -14.170 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.548 -4.913 -13.770 1.00 0.00 C ATOM 0 H PHE A 38 -2.558 -3.986 -18.685 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.266 -6.297 -18.156 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.295 -3.293 -18.085 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.835 -4.043 -18.458 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.276 -6.198 -16.812 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.997 -2.767 -15.872 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.665 -6.607 -14.377 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.389 -3.173 -13.436 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.716 -5.090 -12.718 1.00 0.00 H new ATOM 265 N LYS A 39 -5.996 -5.895 -20.130 1.00 0.00 N ATOM 266 CA LYS A 39 -6.709 -5.983 -21.392 1.00 0.00 C ATOM 267 C LYS A 39 -8.119 -5.417 -21.217 1.00 0.00 C ATOM 268 O LYS A 39 -8.564 -5.186 -20.093 1.00 0.00 O ATOM 269 CB LYS A 39 -6.686 -7.419 -21.922 1.00 0.00 C ATOM 270 CG LYS A 39 -6.513 -8.423 -20.779 1.00 0.00 C ATOM 271 CD LYS A 39 -6.636 -9.860 -21.289 1.00 0.00 C ATOM 272 CE LYS A 39 -5.481 -10.210 -22.230 1.00 0.00 C ATOM 273 NZ LYS A 39 -5.129 -11.642 -22.107 1.00 0.00 N ATOM 0 H LYS A 39 -6.547 -6.149 -19.310 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.213 -5.378 -22.151 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.612 -7.628 -22.457 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.872 -7.533 -22.638 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.539 -8.282 -20.310 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.266 -8.240 -20.012 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.644 -10.550 -20.445 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.585 -9.984 -21.811 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.762 -9.985 -23.259 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.613 -9.594 -21.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.562 -11.932 -22.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.578 -11.791 -21.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.999 -12.211 -22.068 1.00 0.00 H new ATOM 274 N LYS A 40 -8.785 -5.209 -22.344 1.00 0.00 N ATOM 275 CA LYS A 40 -10.051 -4.498 -22.345 1.00 0.00 C ATOM 276 C LYS A 40 -11.192 -5.495 -22.554 1.00 0.00 C ATOM 277 O LYS A 40 -10.951 -6.667 -22.838 1.00 0.00 O ATOM 278 CB LYS A 40 -10.028 -3.365 -23.375 1.00 0.00 C ATOM 279 CG LYS A 40 -8.790 -2.484 -23.194 1.00 0.00 C ATOM 280 CD LYS A 40 -9.125 -1.225 -22.392 1.00 0.00 C ATOM 281 CE LYS A 40 -9.359 -1.561 -20.918 1.00 0.00 C ATOM 282 NZ LYS A 40 -9.110 -0.372 -20.070 1.00 0.00 N ATOM 0 H LYS A 40 -8.471 -5.521 -23.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.219 -4.019 -21.380 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.037 -3.784 -24.381 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.928 -2.759 -23.274 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.010 -3.048 -22.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.393 -2.203 -24.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.311 -0.506 -22.480 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.015 -0.751 -22.807 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.382 -1.909 -20.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.701 -2.375 -20.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.174 -0.641 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.160 0.003 -20.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.821 0.358 -20.278 1.00 0.00 H new ATOM 283 N LYS A 41 -12.409 -4.994 -22.406 1.00 0.00 N ATOM 284 CA LYS A 41 -13.588 -5.800 -22.671 1.00 0.00 C ATOM 285 C LYS A 41 -13.505 -6.367 -24.090 1.00 0.00 C ATOM 286 O LYS A 41 -12.690 -5.919 -24.894 1.00 0.00 O ATOM 287 CB LYS A 41 -14.860 -4.993 -22.405 1.00 0.00 C ATOM 288 CG LYS A 41 -16.080 -5.910 -22.299 1.00 0.00 C ATOM 289 CD LYS A 41 -17.118 -5.334 -21.335 1.00 0.00 C ATOM 290 CE LYS A 41 -17.666 -4.001 -21.850 1.00 0.00 C ATOM 291 NZ LYS A 41 -17.343 -2.908 -20.906 1.00 0.00 N ATOM 0 H LYS A 41 -12.604 -4.039 -22.106 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.629 -6.650 -21.990 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.747 -4.424 -21.482 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.012 -4.272 -23.208 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.527 -6.041 -23.284 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.769 -6.897 -21.956 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.936 -6.043 -21.210 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.667 -5.191 -20.353 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.242 -3.781 -22.829 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.746 -4.071 -21.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.722 -2.011 -21.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.769 -3.112 -19.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.311 -2.831 -20.804 1.00 0.00 H new ATOM 292 N ARG A 42 -14.359 -7.345 -24.352 1.00 0.00 N ATOM 293 CA ARG A 42 -14.450 -7.920 -25.684 1.00 0.00 C ATOM 294 C ARG A 42 -13.342 -8.953 -25.893 1.00 0.00 C ATOM 295 O ARG A 42 -13.082 -9.371 -27.020 1.00 0.00 O ATOM 296 CB ARG A 42 -14.340 -6.839 -26.760 1.00 0.00 C ATOM 297 CG ARG A 42 -15.078 -7.256 -28.033 1.00 0.00 C ATOM 298 CD ARG A 42 -16.529 -6.771 -28.010 1.00 0.00 C ATOM 299 NE ARG A 42 -17.160 -6.998 -29.330 1.00 0.00 N ATOM 300 CZ ARG A 42 -17.018 -6.179 -30.381 1.00 0.00 C ATOM 301 NH1 ARG A 42 -16.200 -5.121 -30.301 1.00 0.00 N ATOM 302 NH2 ARG A 42 -17.694 -6.419 -31.513 1.00 0.00 N ATOM 0 H ARG A 42 -14.994 -7.754 -23.666 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.423 -8.404 -25.770 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.755 -5.904 -26.385 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.290 -6.653 -26.988 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.568 -6.846 -28.904 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.055 -8.341 -28.132 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.085 -7.300 -27.236 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.563 -5.711 -27.759 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.739 -7.830 -29.447 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.685 -4.939 -29.440 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.092 -4.498 -31.101 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.316 -7.225 -31.574 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.586 -5.796 -32.313 1.00 0.00 H new ATOM 303 N THR A 43 -12.717 -9.337 -24.789 1.00 0.00 N ATOM 304 CA THR A 43 -11.741 -10.413 -24.815 1.00 0.00 C ATOM 305 C THR A 43 -12.177 -11.551 -23.892 1.00 0.00 C ATOM 306 O THR A 43 -12.758 -11.311 -22.835 1.00 0.00 O ATOM 307 CB THR A 43 -10.378 -9.823 -24.450 1.00 0.00 C ATOM 308 OG1 THR A 43 -9.441 -10.749 -24.995 1.00 0.00 O ATOM 309 CG2 THR A 43 -10.106 -9.863 -22.944 1.00 0.00 C ATOM 0 H THR A 43 -12.868 -8.921 -23.870 1.00 0.00 H new ATOM 0 HA THR A 43 -11.665 -10.854 -25.809 1.00 0.00 H new ATOM 0 HB THR A 43 -10.323 -8.793 -24.802 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.530 -10.442 -24.805 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.126 -9.432 -22.740 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.871 -9.289 -22.421 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.128 -10.896 -22.598 1.00 0.00 H new ATOM 310 N ILE A 44 -11.882 -12.768 -24.326 1.00 0.00 N ATOM 311 CA ILE A 44 -12.417 -13.948 -23.667 1.00 0.00 C ATOM 312 C ILE A 44 -11.512 -14.325 -22.492 1.00 0.00 C ATOM 313 O ILE A 44 -10.325 -14.586 -22.676 1.00 0.00 O ATOM 314 CB ILE A 44 -12.617 -15.080 -24.676 1.00 0.00 C ATOM 315 CG1 ILE A 44 -13.344 -14.579 -25.926 1.00 0.00 C ATOM 316 CG2 ILE A 44 -13.335 -16.267 -24.032 1.00 0.00 C ATOM 317 CD1 ILE A 44 -14.618 -13.819 -25.551 1.00 0.00 C ATOM 0 H ILE A 44 -11.279 -12.962 -25.126 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.405 -13.740 -23.256 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.636 -15.431 -24.994 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.683 -13.928 -26.499 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.595 -15.423 -26.568 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.465 -17.058 -24.771 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.741 -16.643 -23.198 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.311 -15.947 -23.667 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.116 -13.474 -26.457 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.287 -14.480 -24.999 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.360 -12.962 -24.929 1.00 0.00 H new ATOM 318 N CYS A 45 -12.109 -14.340 -21.309 1.00 0.00 N ATOM 319 CA CYS A 45 -11.422 -14.844 -20.131 1.00 0.00 C ATOM 320 C CYS A 45 -11.830 -16.304 -19.925 1.00 0.00 C ATOM 321 O CYS A 45 -11.071 -17.089 -19.359 1.00 0.00 O ATOM 322 CB CYS A 45 -11.716 -13.989 -18.897 1.00 0.00 C ATOM 323 SG CYS A 45 -13.127 -14.565 -17.883 1.00 0.00 S ATOM 0 H CYS A 45 -13.060 -14.012 -21.141 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.344 -14.788 -20.283 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.824 -13.961 -18.271 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.912 -12.966 -19.219 1.00 0.00 H new ATOM 324 N ARG A 46 -13.028 -16.623 -20.394 1.00 0.00 N ATOM 325 CA ARG A 46 -13.537 -17.979 -20.286 1.00 0.00 C ATOM 326 C ARG A 46 -14.344 -18.345 -21.533 1.00 0.00 C ATOM 327 O ARG A 46 -15.307 -17.660 -21.876 1.00 0.00 O ATOM 328 CB ARG A 46 -14.424 -18.136 -19.049 1.00 0.00 C ATOM 329 CG ARG A 46 -14.201 -19.497 -18.384 1.00 0.00 C ATOM 330 CD ARG A 46 -13.024 -19.445 -17.409 1.00 0.00 C ATOM 331 NE ARG A 46 -12.688 -20.810 -16.947 1.00 0.00 N ATOM 332 CZ ARG A 46 -11.701 -21.090 -16.084 1.00 0.00 C ATOM 333 NH1 ARG A 46 -10.982 -20.097 -15.545 1.00 0.00 N ATOM 334 NH2 ARG A 46 -11.436 -22.364 -15.761 1.00 0.00 N ATOM 0 H ARG A 46 -13.660 -15.965 -20.850 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.681 -18.648 -20.194 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.206 -17.339 -18.337 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.471 -18.033 -19.333 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.104 -19.799 -17.853 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.012 -20.252 -19.147 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.159 -18.993 -17.894 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.276 -18.815 -16.556 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.242 -21.587 -17.308 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.185 -19.128 -15.791 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.231 -20.309 -14.888 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.985 -23.119 -16.172 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.685 -22.578 -15.105 1.00 0.00 H new ATOM 335 N ILE A 47 -13.922 -19.423 -22.177 1.00 0.00 N ATOM 336 CA ILE A 47 -14.599 -19.891 -23.375 1.00 0.00 C ATOM 337 C ILE A 47 -15.766 -20.796 -22.976 1.00 0.00 C ATOM 338 O ILE A 47 -15.762 -21.379 -21.893 1.00 0.00 O ATOM 339 CB ILE A 47 -13.601 -20.556 -24.326 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.248 -19.845 -24.287 1.00 0.00 C ATOM 341 CG2 ILE A 47 -14.168 -20.633 -25.746 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.163 -20.761 -23.716 1.00 0.00 C ATOM 0 H ILE A 47 -13.120 -19.986 -21.892 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.022 -19.052 -23.928 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.435 -21.579 -23.988 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.970 -19.529 -25.293 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.324 -18.943 -23.679 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.440 -21.109 -26.403 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.088 -21.217 -25.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.380 -19.627 -26.108 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.211 -20.231 -23.699 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.432 -21.055 -22.702 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.072 -21.650 -24.340 1.00 0.00 H new ATOM 343 N ALA A 48 -16.736 -20.885 -23.873 1.00 0.00 N ATOM 344 CA ALA A 48 -17.874 -21.764 -23.659 1.00 0.00 C ATOM 345 C ALA A 48 -17.639 -23.083 -24.398 1.00 0.00 C ATOM 346 O ALA A 48 -17.091 -23.094 -25.498 1.00 0.00 O ATOM 347 CB ALA A 48 -19.154 -21.061 -24.115 1.00 0.00 C ATOM 0 H ALA A 48 -16.758 -20.364 -24.749 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.988 -21.995 -22.600 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.008 -21.720 -23.955 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.290 -20.144 -23.541 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.078 -20.817 -25.175 1.00 0.00 H new ATOM 348 N ARG A 49 -18.065 -24.164 -23.760 1.00 0.00 N ATOM 349 CA ARG A 49 -17.891 -25.488 -24.333 1.00 0.00 C ATOM 350 C ARG A 49 -18.971 -25.758 -25.384 1.00 0.00 C ATOM 351 O ARG A 49 -18.800 -26.614 -26.249 1.00 0.00 O ATOM 352 CB ARG A 49 -17.960 -26.569 -23.253 1.00 0.00 C ATOM 353 CG ARG A 49 -19.407 -26.840 -22.839 1.00 0.00 C ATOM 354 CD ARG A 49 -19.464 -27.653 -21.543 1.00 0.00 C ATOM 355 NE ARG A 49 -19.201 -26.772 -20.382 1.00 0.00 N ATOM 356 CZ ARG A 49 -19.187 -27.192 -19.110 1.00 0.00 C ATOM 357 NH1 ARG A 49 -19.398 -28.485 -18.828 1.00 0.00 N ATOM 358 NH2 ARG A 49 -18.963 -26.318 -18.119 1.00 0.00 N ATOM 0 H ARG A 49 -18.530 -24.150 -22.852 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.907 -25.520 -24.801 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.506 -27.488 -23.624 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.382 -26.256 -22.383 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -19.933 -25.895 -22.703 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -19.921 -27.380 -23.634 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.443 -28.122 -21.440 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.728 -28.456 -21.575 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.019 -25.785 -20.562 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.569 -29.150 -19.582 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.387 -28.804 -17.859 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.803 -25.334 -18.334 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.952 -26.637 -17.150 1.00 0.00 H new ATOM 359 N GLY A 50 -20.059 -25.010 -25.273 1.00 0.00 N ATOM 360 CA GLY A 50 -21.140 -25.114 -26.239 1.00 0.00 C ATOM 361 C GLY A 50 -22.490 -24.813 -25.584 1.00 0.00 C ATOM 362 O GLY A 50 -22.702 -25.129 -24.415 1.00 0.00 O ATOM 0 H GLY A 50 -20.215 -24.330 -24.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -20.967 -24.419 -27.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.155 -26.116 -26.667 1.00 0.00 H new ATOM 363 N ASP A 51 -23.369 -24.205 -26.368 1.00 0.00 N ATOM 364 CA ASP A 51 -24.732 -23.971 -25.923 1.00 0.00 C ATOM 365 C ASP A 51 -24.728 -22.934 -24.800 1.00 0.00 C ATOM 366 O ASP A 51 -25.717 -22.783 -24.085 1.00 0.00 O ATOM 367 CB ASP A 51 -25.360 -25.256 -25.378 1.00 0.00 C ATOM 368 CG ASP A 51 -26.842 -25.146 -25.013 1.00 0.00 C ATOM 369 OD1 ASP A 51 -27.606 -24.712 -25.958 1.00 0.00 O ATOM 370 OD2 ASP A 51 -27.247 -25.459 -23.884 1.00 0.00 O ATOM 0 H ASP A 51 -23.163 -23.868 -27.308 1.00 0.00 H new ATOM 0 HA ASP A 51 -25.310 -23.620 -26.778 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -25.242 -26.044 -26.121 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -24.805 -25.567 -24.493 1.00 0.00 H new ATOM 371 N PHE A 52 -23.603 -22.245 -24.679 1.00 0.00 N ATOM 372 CA PHE A 52 -23.498 -21.143 -23.738 1.00 0.00 C ATOM 373 C PHE A 52 -22.689 -19.988 -24.332 1.00 0.00 C ATOM 374 O PHE A 52 -21.814 -20.206 -25.171 1.00 0.00 O ATOM 375 CB PHE A 52 -22.770 -21.677 -22.503 1.00 0.00 C ATOM 376 CG PHE A 52 -23.188 -23.092 -22.098 1.00 0.00 C ATOM 377 CD1 PHE A 52 -24.481 -23.350 -21.765 1.00 0.00 C ATOM 378 CD2 PHE A 52 -22.265 -24.092 -22.071 1.00 0.00 C ATOM 379 CE1 PHE A 52 -24.869 -24.664 -21.390 1.00 0.00 C ATOM 380 CE2 PHE A 52 -22.654 -25.405 -21.695 1.00 0.00 C ATOM 381 CZ PHE A 52 -23.947 -25.663 -21.362 1.00 0.00 C ATOM 0 H PHE A 52 -22.756 -22.429 -25.217 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.492 -20.767 -23.494 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -21.697 -21.667 -22.694 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.952 -21.002 -21.667 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.213 -22.556 -21.786 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -21.238 -23.887 -22.335 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -25.896 -24.870 -21.127 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -21.922 -26.199 -21.673 1.00 0.00 H new ATOM 0 HZ PHE A 52 -24.242 -26.662 -21.075 1.00 0.00 H new ATOM 382 N PRO A 53 -23.017 -18.755 -23.863 1.00 0.00 N ATOM 383 CA PRO A 53 -22.247 -17.581 -24.243 1.00 0.00 C ATOM 384 C PRO A 53 -20.908 -17.543 -23.505 1.00 0.00 C ATOM 385 O PRO A 53 -20.806 -18.003 -22.369 1.00 0.00 O ATOM 386 CB PRO A 53 -23.143 -16.400 -23.909 1.00 0.00 C ATOM 387 CG PRO A 53 -24.182 -16.926 -22.932 1.00 0.00 C ATOM 388 CD PRO A 53 -24.124 -18.445 -22.964 1.00 0.00 C ATOM 0 HA PRO A 53 -21.980 -17.575 -25.300 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.568 -15.587 -23.467 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.617 -16.004 -24.807 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.981 -16.557 -21.926 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -25.177 -16.576 -23.207 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.953 -18.856 -21.969 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -25.060 -18.869 -23.327 1.00 0.00 H new ATOM 389 N ASP A 54 -19.911 -16.991 -24.182 1.00 0.00 N ATOM 390 CA ASP A 54 -18.599 -16.828 -23.582 1.00 0.00 C ATOM 391 C ASP A 54 -18.611 -15.603 -22.664 1.00 0.00 C ATOM 392 O ASP A 54 -19.407 -14.686 -22.857 1.00 0.00 O ATOM 393 CB ASP A 54 -17.528 -16.604 -24.653 1.00 0.00 C ATOM 394 CG ASP A 54 -17.787 -15.423 -25.590 1.00 0.00 C ATOM 395 OD1 ASP A 54 -17.805 -14.259 -25.161 1.00 0.00 O ATOM 396 OD2 ASP A 54 -17.978 -15.739 -26.826 1.00 0.00 O ATOM 0 H ASP A 54 -19.987 -16.651 -25.141 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.368 -17.735 -23.024 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.568 -16.453 -24.159 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.439 -17.511 -25.252 1.00 0.00 H new ATOM 397 N ASP A 55 -17.720 -15.630 -21.683 1.00 0.00 N ATOM 398 CA ASP A 55 -17.609 -14.528 -20.743 1.00 0.00 C ATOM 399 C ASP A 55 -16.446 -13.624 -21.156 1.00 0.00 C ATOM 400 O ASP A 55 -15.389 -14.111 -21.556 1.00 0.00 O ATOM 401 CB ASP A 55 -17.332 -15.039 -19.328 1.00 0.00 C ATOM 402 CG ASP A 55 -17.079 -13.947 -18.285 1.00 0.00 C ATOM 403 OD1 ASP A 55 -15.923 -13.379 -18.358 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.943 -13.655 -17.445 1.00 0.00 O ATOM 0 H ASP A 55 -17.069 -16.398 -21.519 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.552 -13.981 -20.752 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.180 -15.642 -19.003 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.465 -15.699 -19.359 1.00 0.00 H new ATOM 405 N ARG A 56 -16.680 -12.325 -21.046 1.00 0.00 N ATOM 406 CA ARG A 56 -15.707 -11.349 -21.504 1.00 0.00 C ATOM 407 C ARG A 56 -15.113 -10.593 -20.313 1.00 0.00 C ATOM 408 O ARG A 56 -15.628 -10.680 -19.200 1.00 0.00 O ATOM 409 CB ARG A 56 -16.343 -10.347 -22.469 1.00 0.00 C ATOM 410 CG ARG A 56 -16.291 -10.863 -23.909 1.00 0.00 C ATOM 411 CD ARG A 56 -17.580 -10.523 -24.659 1.00 0.00 C ATOM 412 NE ARG A 56 -18.599 -11.568 -24.413 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.895 -11.313 -24.184 1.00 0.00 C ATOM 414 NH1 ARG A 56 -20.426 -10.145 -24.570 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.658 -12.226 -23.569 1.00 0.00 N ATOM 0 H ARG A 56 -17.529 -11.926 -20.646 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.918 -11.889 -22.027 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.379 -10.166 -22.181 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.822 -9.392 -22.402 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.438 -10.423 -24.426 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.141 -11.943 -23.907 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.955 -9.553 -24.333 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.379 -10.444 -25.727 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.296 -12.542 -24.418 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.844 -9.450 -25.038 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.412 -9.951 -24.396 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.253 -13.115 -23.275 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.644 -12.032 -23.394 1.00 0.00 H new ATOM 416 N CYS A 57 -14.038 -9.868 -20.588 1.00 0.00 N ATOM 417 CA CYS A 57 -13.386 -9.076 -19.561 1.00 0.00 C ATOM 418 C CYS A 57 -14.292 -7.891 -19.221 1.00 0.00 C ATOM 419 O CYS A 57 -15.363 -7.736 -19.805 1.00 0.00 O ATOM 420 CB CYS A 57 -11.992 -8.621 -19.996 1.00 0.00 C ATOM 421 SG CYS A 57 -10.648 -9.809 -19.629 1.00 0.00 S ATOM 0 H CYS A 57 -13.603 -9.813 -21.509 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.236 -9.685 -18.670 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.006 -8.430 -21.069 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.765 -7.674 -19.506 1.00 0.00 H new ATOM 422 N THR A 58 -13.828 -7.084 -18.278 1.00 0.00 N ATOM 423 CA THR A 58 -14.567 -5.898 -17.877 1.00 0.00 C ATOM 424 C THR A 58 -13.904 -4.641 -18.440 1.00 0.00 C ATOM 425 O THR A 58 -14.549 -3.846 -19.124 1.00 0.00 O ATOM 426 CB THR A 58 -14.670 -5.898 -16.351 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.322 -6.043 -15.912 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.372 -7.147 -15.812 1.00 0.00 C ATOM 0 H THR A 58 -12.950 -7.228 -17.780 1.00 0.00 H new ATOM 0 HA THR A 58 -15.578 -5.906 -18.285 1.00 0.00 H new ATOM 0 HB THR A 58 -15.208 -5.008 -16.024 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.158 -6.977 -15.663 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.419 -7.097 -14.724 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.383 -7.200 -16.217 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.815 -8.035 -16.111 1.00 0.00 H new ATOM 429 N GLY A 59 -12.623 -4.497 -18.134 1.00 0.00 N ATOM 430 CA GLY A 59 -11.866 -3.347 -18.600 1.00 0.00 C ATOM 431 C GLY A 59 -10.664 -3.077 -17.691 1.00 0.00 C ATOM 432 O GLY A 59 -9.625 -2.610 -18.152 1.00 0.00 O ATOM 0 H GLY A 59 -12.090 -5.158 -17.569 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.523 -3.522 -19.620 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.511 -2.469 -18.626 1.00 0.00 H new ATOM 433 N LEU A 60 -10.848 -3.384 -16.415 1.00 0.00 N ATOM 434 CA LEU A 60 -9.812 -3.129 -15.428 1.00 0.00 C ATOM 435 C LEU A 60 -9.885 -4.194 -14.331 1.00 0.00 C ATOM 436 O LEU A 60 -10.155 -3.881 -13.173 1.00 0.00 O ATOM 437 CB LEU A 60 -9.917 -1.696 -14.900 1.00 0.00 C ATOM 438 CG LEU A 60 -11.281 -1.284 -14.342 1.00 0.00 C ATOM 439 CD1 LEU A 60 -11.127 -0.504 -13.035 1.00 0.00 C ATOM 440 CD2 LEU A 60 -12.086 -0.505 -15.383 1.00 0.00 C ATOM 0 H LEU A 60 -11.698 -3.807 -16.042 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.825 -3.206 -15.883 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.171 -1.563 -14.116 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.656 -1.012 -15.708 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.843 -2.189 -14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.111 -0.224 -12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.622 -1.127 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.538 0.395 -13.215 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.051 -0.224 -14.961 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.539 0.394 -15.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.243 -1.129 -16.263 1.00 0.00 H new ATOM 441 N SER A 61 -9.640 -5.432 -14.737 1.00 0.00 N ATOM 442 CA SER A 61 -9.632 -6.539 -13.797 1.00 0.00 C ATOM 443 C SER A 61 -8.831 -7.709 -14.372 1.00 0.00 C ATOM 444 O SER A 61 -8.725 -7.853 -15.589 1.00 0.00 O ATOM 445 CB SER A 61 -11.055 -6.986 -13.460 1.00 0.00 C ATOM 446 OG SER A 61 -11.998 -5.928 -13.616 1.00 0.00 O ATOM 0 H SER A 61 -9.446 -5.692 -15.704 1.00 0.00 H new ATOM 0 HA SER A 61 -9.158 -6.201 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.335 -7.819 -14.104 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.087 -7.352 -12.434 1.00 0.00 H new ATOM 0 HG SER A 61 -12.229 -5.833 -14.564 1.00 0.00 H new ATOM 447 N ASN A 62 -8.288 -8.514 -13.471 1.00 0.00 N ATOM 448 CA ASN A 62 -7.467 -9.643 -13.873 1.00 0.00 C ATOM 449 C ASN A 62 -8.163 -10.944 -13.467 1.00 0.00 C ATOM 450 O ASN A 62 -7.646 -12.031 -13.713 1.00 0.00 O ATOM 451 CB ASN A 62 -6.101 -9.603 -13.186 1.00 0.00 C ATOM 452 CG ASN A 62 -5.984 -8.385 -12.268 1.00 0.00 C ATOM 453 OD1 ASN A 62 -6.796 -8.160 -11.386 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.930 -7.616 -12.523 1.00 0.00 N ATOM 0 H ASN A 62 -8.401 -8.407 -12.463 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.329 -9.592 -14.953 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.955 -10.515 -12.607 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.313 -9.573 -13.938 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.762 -6.779 -11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.289 -7.863 -13.277 1.00 0.00 H new ATOM 455 N ASP A 63 -9.326 -10.788 -12.852 1.00 0.00 N ATOM 456 CA ASP A 63 -10.125 -11.937 -12.459 1.00 0.00 C ATOM 457 C ASP A 63 -10.960 -12.403 -13.653 1.00 0.00 C ATOM 458 O ASP A 63 -11.091 -11.685 -14.642 1.00 0.00 O ATOM 459 CB ASP A 63 -11.084 -11.578 -11.322 1.00 0.00 C ATOM 460 CG ASP A 63 -10.601 -10.460 -10.397 1.00 0.00 C ATOM 461 OD1 ASP A 63 -10.901 -9.266 -10.781 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.969 -10.717 -9.360 1.00 0.00 O ATOM 0 H ASP A 63 -9.734 -9.884 -12.616 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.447 -12.722 -12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.041 -11.284 -11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.265 -12.471 -10.724 1.00 0.00 H new ATOM 463 N CYS A 64 -11.504 -13.605 -13.520 1.00 0.00 N ATOM 464 CA CYS A 64 -12.264 -14.206 -14.603 1.00 0.00 C ATOM 465 C CYS A 64 -13.494 -14.891 -14.004 1.00 0.00 C ATOM 466 O CYS A 64 -13.507 -16.107 -13.826 1.00 0.00 O ATOM 467 CB CYS A 64 -11.411 -15.179 -15.421 1.00 0.00 C ATOM 468 SG CYS A 64 -12.311 -16.057 -16.750 1.00 0.00 S ATOM 0 H CYS A 64 -11.433 -14.178 -12.679 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.584 -13.431 -15.300 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.582 -14.628 -15.865 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.978 -15.917 -14.746 1.00 0.00 H new ATOM 469 N PRO A 65 -14.525 -14.057 -13.702 1.00 0.00 N ATOM 470 CA PRO A 65 -15.770 -14.573 -13.156 1.00 0.00 C ATOM 471 C PRO A 65 -16.600 -15.262 -14.242 1.00 0.00 C ATOM 472 O PRO A 65 -16.430 -14.983 -15.428 1.00 0.00 O ATOM 473 CB PRO A 65 -16.467 -13.364 -12.554 1.00 0.00 C ATOM 474 CG PRO A 65 -15.812 -12.147 -13.188 1.00 0.00 C ATOM 475 CD PRO A 65 -14.534 -12.607 -13.869 1.00 0.00 C ATOM 0 HA PRO A 65 -15.611 -15.342 -12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.537 -13.385 -12.763 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.355 -13.348 -11.470 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.484 -11.685 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.591 -11.394 -12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.525 -12.330 -14.923 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.656 -12.151 -13.412 1.00 0.00 H new ATOM 476 N ARG A 66 -17.479 -16.147 -13.797 1.00 0.00 N ATOM 477 CA ARG A 66 -18.392 -16.817 -14.708 1.00 0.00 C ATOM 478 C ARG A 66 -19.471 -15.845 -15.188 1.00 0.00 C ATOM 479 O ARG A 66 -19.700 -14.809 -14.566 1.00 0.00 O ATOM 480 CB ARG A 66 -19.060 -18.018 -14.034 1.00 0.00 C ATOM 481 CG ARG A 66 -18.033 -18.865 -13.279 1.00 0.00 C ATOM 482 CD ARG A 66 -18.499 -20.318 -13.167 1.00 0.00 C ATOM 483 NE ARG A 66 -17.636 -21.053 -12.216 1.00 0.00 N ATOM 484 CZ ARG A 66 -17.690 -22.378 -12.021 1.00 0.00 C ATOM 485 NH1 ARG A 66 -18.643 -23.105 -12.623 1.00 0.00 N ATOM 486 NH2 ARG A 66 -16.794 -22.976 -11.226 1.00 0.00 N ATOM 0 H ARG A 66 -17.579 -16.416 -12.818 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.811 -17.170 -15.560 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.829 -17.671 -13.343 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.559 -18.630 -14.785 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.074 -18.825 -13.795 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.877 -18.451 -12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.535 -20.352 -12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.465 -20.796 -14.146 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.957 -20.518 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.326 -22.649 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.685 -24.113 -12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.069 -22.423 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.836 -23.984 -11.078 1.00 0.00 H new ATOM 487 N TRP A 67 -20.105 -16.213 -16.292 1.00 0.00 N ATOM 488 CA TRP A 67 -21.150 -15.384 -16.867 1.00 0.00 C ATOM 489 C TRP A 67 -22.430 -15.609 -16.060 1.00 0.00 C ATOM 490 O TRP A 67 -23.344 -16.293 -16.517 1.00 0.00 O ATOM 491 CB TRP A 67 -21.324 -15.676 -18.358 1.00 0.00 C ATOM 492 CG TRP A 67 -21.615 -14.436 -19.206 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.793 -13.414 -19.481 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.851 -14.127 -19.883 1.00 0.00 C ATOM 495 NE1 TRP A 67 -21.407 -12.472 -20.282 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.699 -12.920 -20.533 1.00 0.00 C ATOM 497 CE3 TRP A 67 -24.060 -14.844 -19.942 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -23.714 -12.324 -21.292 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -25.064 -14.235 -20.703 1.00 0.00 C ATOM 500 CH2 TRP A 67 -24.927 -13.019 -21.364 1.00 0.00 C ATOM 0 H TRP A 67 -19.915 -17.075 -16.803 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.882 -14.329 -16.807 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -20.419 -16.155 -18.732 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -22.138 -16.390 -18.485 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.778 -13.337 -19.121 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -20.990 -11.607 -20.626 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -24.202 -15.790 -19.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -23.569 -11.379 -21.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -26.012 -14.745 -20.783 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -25.752 -12.613 -21.930 1.00 0.00 H new ATOM 501 N ASN A 68 -22.455 -15.019 -14.874 1.00 0.00 N ATOM 502 CA ASN A 68 -23.601 -15.164 -13.990 1.00 0.00 C ATOM 503 C ASN A 68 -24.007 -16.637 -13.927 1.00 0.00 C ATOM 504 O ASN A 68 -25.096 -17.005 -14.365 1.00 0.00 O ATOM 505 CB ASN A 68 -24.799 -14.365 -14.507 1.00 0.00 C ATOM 506 CG ASN A 68 -25.907 -14.297 -13.454 1.00 0.00 C ATOM 507 OD1 ASN A 68 -25.888 -13.484 -12.545 1.00 0.00 O ATOM 508 ND2 ASN A 68 -26.873 -15.196 -13.627 1.00 0.00 N ATOM 0 H ASN A 68 -21.701 -14.440 -14.504 1.00 0.00 H new ATOM 0 HA ASN A 68 -23.317 -14.792 -13.005 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -24.481 -13.356 -14.772 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -25.184 -14.827 -15.416 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -27.658 -15.232 -12.977 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -26.828 -15.849 -14.410 1.00 0.00 H new ATOM 509 N ASP A 69 -23.110 -17.443 -13.377 1.00 0.00 N ATOM 510 CA ASP A 69 -23.354 -18.871 -13.264 1.00 0.00 C ATOM 511 C ASP A 69 -22.538 -19.433 -12.099 1.00 0.00 C ATOM 512 O ASP A 69 -21.533 -18.847 -11.700 1.00 0.00 O ATOM 513 CB ASP A 69 -22.927 -19.604 -14.537 1.00 0.00 C ATOM 514 CG ASP A 69 -24.068 -19.961 -15.491 1.00 0.00 C ATOM 515 OD1 ASP A 69 -24.947 -20.773 -15.161 1.00 0.00 O ATOM 516 OD2 ASP A 69 -24.035 -19.359 -16.631 1.00 0.00 O ATOM 0 H ASP A 69 -22.212 -17.134 -13.005 1.00 0.00 H new ATOM 0 HA ASP A 69 -24.422 -19.019 -13.103 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -22.207 -18.984 -15.071 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -22.410 -20.521 -14.254 1.00 0.00 H new ATOM 517 N LEU A 70 -23.009 -20.577 -11.523 1.00 0.00 N ATOM 518 CA LEU A 70 -22.355 -21.179 -10.348 1.00 0.00 C ATOM 519 C LEU A 70 -21.253 -22.092 -10.786 1.00 0.00 C ATOM 520 O LEU A 70 -20.248 -22.319 -10.116 1.00 0.00 O ATOM 521 CB LEU A 70 -23.376 -21.939 -9.490 1.00 0.00 C ATOM 522 CG LEU A 70 -24.470 -21.005 -8.953 1.00 0.00 C ATOM 523 CD1 LEU A 70 -25.563 -21.814 -8.248 1.00 0.00 C ATOM 524 CD2 LEU A 70 -23.881 -19.961 -7.995 1.00 0.00 C ATOM 525 OXT LEU A 70 -21.403 -22.682 -11.978 1.00 0.00 O ATOM 0 H LEU A 70 -23.828 -21.086 -11.856 1.00 0.00 H new ATOM 0 HA LEU A 70 -21.928 -20.381 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -23.832 -22.731 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.865 -22.419 -8.656 1.00 0.00 H new ATOM 0 HG LEU A 70 -24.911 -20.479 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -26.331 -21.138 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -26.009 -22.515 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -25.127 -22.366 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -24.677 -19.313 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.409 -20.466 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.138 -19.362 -8.522 1.00 0.00 H new TER 526 LEU A 70