USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 609 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 13 SER OG : rot -90:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc= -1.86 K(o=-1.9,f=-8.2!) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.244 USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0663 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.2) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.1!) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.598 USER MOD Single : A 25 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot -121:sc= -0.999 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.3!) USER MOD Single : A 45 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.36) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0702 K(o=-0.07,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -0.0482 (180deg=-0.288) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.467 -0.264 -1.332 1.00 0.00 N ATOM 2 CA GLY A 1 2.379 -0.218 -2.460 1.00 0.00 C ATOM 3 C GLY A 1 3.007 1.150 -2.643 1.00 0.00 C ATOM 4 O GLY A 1 2.823 2.054 -1.829 1.00 0.00 O ATOM 0 H1 GLY A 1 1.788 -0.985 -0.655 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.446 0.665 -0.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.512 -0.505 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.165 -0.959 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.843 -0.493 -3.368 1.00 0.00 H new ATOM 8 N PRO A 2 3.769 1.314 -3.734 1.00 0.00 N ATOM 9 CA PRO A 2 4.442 2.578 -4.046 1.00 0.00 C ATOM 10 C PRO A 2 3.461 3.674 -4.447 1.00 0.00 C ATOM 11 O PRO A 2 3.361 4.033 -5.620 1.00 0.00 O ATOM 12 CB PRO A 2 5.349 2.216 -5.225 1.00 0.00 C ATOM 13 CG PRO A 2 4.689 1.043 -5.864 1.00 0.00 C ATOM 14 CD PRO A 2 4.032 0.279 -4.748 1.00 0.00 C ATOM 0 HA PRO A 2 4.978 2.977 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.441 3.048 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.356 1.969 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.955 1.363 -6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.417 0.422 -6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.112 -0.203 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.682 -0.506 -4.362 1.00 0.00 H new ATOM 22 N ARG A 3 2.738 4.203 -3.465 1.00 0.00 N ATOM 23 CA ARG A 3 1.764 5.258 -3.716 1.00 0.00 C ATOM 24 C ARG A 3 1.060 5.667 -2.425 1.00 0.00 C ATOM 25 O ARG A 3 0.587 4.819 -1.667 1.00 0.00 O ATOM 26 CB ARG A 3 0.732 4.794 -4.746 1.00 0.00 C ATOM 27 CG ARG A 3 0.216 3.386 -4.500 1.00 0.00 C ATOM 28 CD ARG A 3 -1.092 3.136 -5.235 1.00 0.00 C ATOM 29 NE ARG A 3 -1.740 1.904 -4.794 1.00 0.00 N ATOM 30 CZ ARG A 3 -2.822 1.395 -5.374 1.00 0.00 C ATOM 31 NH1 ARG A 3 -3.373 2.009 -6.412 1.00 0.00 N ATOM 32 NH2 ARG A 3 -3.354 0.270 -4.915 1.00 0.00 N ATOM 0 H ARG A 3 2.809 3.918 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 3 2.297 6.124 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.110 5.486 -4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 3 1.177 4.840 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.962 2.662 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.069 3.233 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.765 3.978 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.901 3.082 -6.307 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.341 1.407 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.966 2.874 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.203 1.616 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.933 -0.205 -4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.184 -0.120 -5.360 1.00 0.00 H new ATOM 46 N LYS A 4 0.996 6.971 -2.180 1.00 0.00 N ATOM 47 CA LYS A 4 0.351 7.494 -0.982 1.00 0.00 C ATOM 48 C LYS A 4 -1.144 7.695 -1.212 1.00 0.00 C ATOM 49 O LYS A 4 -1.956 7.461 -0.318 1.00 0.00 O ATOM 50 CB LYS A 4 0.996 8.819 -0.567 1.00 0.00 C ATOM 51 CG LYS A 4 0.631 9.258 0.841 1.00 0.00 C ATOM 52 CD LYS A 4 1.054 8.228 1.874 1.00 0.00 C ATOM 53 CE LYS A 4 -0.138 7.704 2.660 1.00 0.00 C ATOM 54 NZ LYS A 4 0.204 7.458 4.088 1.00 0.00 N ATOM 0 H LYS A 4 1.383 7.686 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 4 0.483 6.766 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.079 8.725 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.696 9.596 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.109 10.212 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.445 9.418 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.557 7.398 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.775 8.673 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.956 8.422 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.493 6.778 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.635 7.102 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.967 6.754 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.519 8.346 4.528 1.00 0.00 H new ATOM 68 N ASN A 5 -1.499 8.128 -2.417 1.00 0.00 N ATOM 69 CA ASN A 5 -2.897 8.359 -2.765 1.00 0.00 C ATOM 70 C ASN A 5 -3.201 7.840 -4.167 1.00 0.00 C ATOM 71 O ASN A 5 -2.406 7.106 -4.755 1.00 0.00 O ATOM 72 CB ASN A 5 -3.226 9.851 -2.678 1.00 0.00 C ATOM 73 CG ASN A 5 -2.735 10.477 -1.388 1.00 0.00 C ATOM 74 OD1 ASN A 5 -2.933 9.928 -0.304 1.00 0.00 O ATOM 75 ND2 ASN A 5 -2.090 11.633 -1.499 1.00 0.00 N ATOM 0 H ASN A 5 -0.839 8.326 -3.169 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.518 7.815 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.776 10.369 -3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.304 9.988 -2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.736 12.102 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.949 12.052 -2.418 1.00 0.00 H new ATOM 82 N ARG A 6 -4.357 8.227 -4.697 1.00 0.00 N ATOM 83 CA ARG A 6 -4.767 7.800 -6.030 1.00 0.00 C ATOM 84 C ARG A 6 -3.640 8.007 -7.037 1.00 0.00 C ATOM 85 O ARG A 6 -3.282 7.093 -7.780 1.00 0.00 O ATOM 86 CB ARG A 6 -6.011 8.571 -6.475 1.00 0.00 C ATOM 87 CG ARG A 6 -5.922 10.068 -6.224 1.00 0.00 C ATOM 88 CD ARG A 6 -7.199 10.604 -5.595 1.00 0.00 C ATOM 89 NE ARG A 6 -8.211 10.923 -6.598 1.00 0.00 N ATOM 90 CZ ARG A 6 -9.356 11.536 -6.317 1.00 0.00 C ATOM 91 NH1 ARG A 6 -9.633 11.893 -5.071 1.00 0.00 N ATOM 92 NH2 ARG A 6 -10.227 11.793 -7.285 1.00 0.00 N ATOM 0 H ARG A 6 -5.026 8.835 -4.224 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.003 6.737 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.174 8.399 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.881 8.174 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.076 10.279 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.733 10.585 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.598 9.866 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.970 11.498 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.029 10.661 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.966 11.697 -4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.513 12.363 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.018 11.520 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.106 12.264 -7.069 1.00 0.00 H new ATOM 106 N ARG A 7 -3.085 9.215 -7.057 1.00 0.00 N ATOM 107 CA ARG A 7 -2.000 9.542 -7.975 1.00 0.00 C ATOM 108 C ARG A 7 -0.788 8.649 -7.725 1.00 0.00 C ATOM 109 O ARG A 7 -0.635 8.084 -6.642 1.00 0.00 O ATOM 110 CB ARG A 7 -1.603 11.012 -7.825 1.00 0.00 C ATOM 111 CG ARG A 7 -2.324 11.938 -8.791 1.00 0.00 C ATOM 112 CD ARG A 7 -1.475 13.152 -9.137 1.00 0.00 C ATOM 113 NE ARG A 7 -2.167 14.064 -10.043 1.00 0.00 N ATOM 114 CZ ARG A 7 -1.562 15.045 -10.702 1.00 0.00 C ATOM 115 NH1 ARG A 7 -0.258 15.240 -10.558 1.00 0.00 N ATOM 116 NH2 ARG A 7 -2.261 15.834 -11.509 1.00 0.00 N ATOM 0 H ARG A 7 -3.369 9.983 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.353 9.369 -8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.810 11.333 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.528 11.107 -7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.571 11.394 -9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.265 12.265 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.210 13.682 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.543 12.823 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.171 13.941 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.283 14.635 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.204 15.995 -11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.264 15.687 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.795 16.587 -12.015 1.00 0.00 H new ATOM 130 N GLU A 8 0.068 8.526 -8.734 1.00 0.00 N ATOM 131 CA GLU A 8 1.265 7.701 -8.623 1.00 0.00 C ATOM 132 C GLU A 8 2.063 7.721 -9.924 1.00 0.00 C ATOM 133 O GLU A 8 1.522 8.008 -10.991 1.00 0.00 O ATOM 134 CB GLU A 8 0.888 6.261 -8.266 1.00 0.00 C ATOM 135 CG GLU A 8 -0.254 5.707 -9.101 1.00 0.00 C ATOM 136 CD GLU A 8 -0.499 4.232 -8.847 1.00 0.00 C ATOM 137 OE1 GLU A 8 0.388 3.575 -8.263 1.00 0.00 O ATOM 138 OE2 GLU A 8 -1.578 3.734 -9.232 1.00 0.00 O ATOM 0 H GLU A 8 -0.045 8.987 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 8 1.887 8.114 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.763 5.623 -8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.612 6.217 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.164 6.266 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.034 5.858 -10.158 1.00 0.00 H new ATOM 145 N ARG A 9 3.352 7.414 -9.825 1.00 0.00 N ATOM 146 CA ARG A 9 4.225 7.399 -10.993 1.00 0.00 C ATOM 147 C ARG A 9 3.690 6.449 -12.060 1.00 0.00 C ATOM 148 O ARG A 9 3.815 6.707 -13.257 1.00 0.00 O ATOM 149 CB ARG A 9 5.642 6.986 -10.591 1.00 0.00 C ATOM 150 CG ARG A 9 6.727 7.626 -11.441 1.00 0.00 C ATOM 151 CD ARG A 9 7.025 6.797 -12.681 1.00 0.00 C ATOM 152 NE ARG A 9 6.445 7.385 -13.885 1.00 0.00 N ATOM 153 CZ ARG A 9 6.836 7.075 -15.116 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.802 6.187 -15.305 1.00 0.00 N ATOM 155 NH2 ARG A 9 6.259 7.654 -16.162 1.00 0.00 N ATOM 0 H ARG A 9 3.815 7.172 -8.949 1.00 0.00 H new ATOM 0 HA ARG A 9 4.251 8.406 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.806 7.252 -9.547 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.729 5.902 -10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.415 8.627 -11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.636 7.738 -10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.104 6.706 -12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.634 5.789 -12.545 1.00 0.00 H new ATOM 0 HE ARG A 9 5.699 8.071 -13.775 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.247 5.740 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.100 5.951 -16.252 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.515 8.337 -16.021 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.560 7.416 -17.107 1.00 0.00 H new ATOM 169 N THR A 10 3.092 5.346 -11.617 1.00 0.00 N ATOM 170 CA THR A 10 2.539 4.357 -12.533 1.00 0.00 C ATOM 171 C THR A 10 1.846 3.232 -11.773 1.00 0.00 C ATOM 172 O THR A 10 1.682 3.299 -10.554 1.00 0.00 O ATOM 173 CB THR A 10 3.632 3.754 -13.435 1.00 0.00 C ATOM 174 OG1 THR A 10 3.033 3.074 -14.544 1.00 0.00 O ATOM 175 CG2 THR A 10 4.507 2.785 -12.653 1.00 0.00 C ATOM 0 H THR A 10 2.979 5.116 -10.630 1.00 0.00 H new ATOM 0 HA THR A 10 1.810 4.875 -13.156 1.00 0.00 H new ATOM 0 HB THR A 10 4.257 4.568 -13.803 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.735 2.695 -15.113 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.271 2.372 -13.312 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.985 3.312 -11.827 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.892 1.976 -12.259 1.00 0.00 H new ATOM 183 N THR A 11 1.439 2.195 -12.500 1.00 0.00 N ATOM 184 CA THR A 11 0.763 1.055 -11.895 1.00 0.00 C ATOM 185 C THR A 11 1.520 0.553 -10.671 1.00 0.00 C ATOM 186 O THR A 11 0.954 0.436 -9.584 1.00 0.00 O ATOM 187 CB THR A 11 0.606 -0.103 -12.898 1.00 0.00 C ATOM 188 OG1 THR A 11 1.880 -0.445 -13.454 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.355 0.276 -14.015 1.00 0.00 C ATOM 0 H THR A 11 1.566 2.122 -13.509 1.00 0.00 H new ATOM 0 HA THR A 11 -0.226 1.399 -11.592 1.00 0.00 H new ATOM 0 HB THR A 11 0.199 -0.963 -12.366 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.772 -1.183 -14.089 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.450 -0.557 -14.711 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.332 0.508 -13.591 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.028 1.149 -14.544 1.00 0.00 H new ATOM 197 N TYR A 12 2.802 0.259 -10.854 1.00 0.00 N ATOM 198 CA TYR A 12 3.637 -0.233 -9.764 1.00 0.00 C ATOM 199 C TYR A 12 5.117 -0.067 -10.094 1.00 0.00 C ATOM 200 O TYR A 12 5.669 -0.805 -10.910 1.00 0.00 O ATOM 201 CB TYR A 12 3.327 -1.704 -9.481 1.00 0.00 C ATOM 202 CG TYR A 12 2.223 -1.906 -8.468 1.00 0.00 C ATOM 203 CD1 TYR A 12 2.427 -1.628 -7.122 1.00 0.00 C ATOM 204 CD2 TYR A 12 0.974 -2.374 -8.858 1.00 0.00 C ATOM 205 CE1 TYR A 12 1.421 -1.812 -6.194 1.00 0.00 C ATOM 206 CE2 TYR A 12 -0.039 -2.560 -7.937 1.00 0.00 C ATOM 207 CZ TYR A 12 0.189 -2.278 -6.606 1.00 0.00 C ATOM 208 OH TYR A 12 -0.816 -2.461 -5.685 1.00 0.00 O ATOM 0 H TYR A 12 3.286 0.353 -11.747 1.00 0.00 H new ATOM 0 HA TYR A 12 3.414 0.356 -8.874 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.047 -2.194 -10.414 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.232 -2.195 -9.123 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.389 -1.262 -6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.792 -2.596 -9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.597 -1.592 -5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.004 -2.924 -8.257 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.619 -2.792 -6.139 1.00 0.00 H new ATOM 218 N SER A 13 5.754 0.908 -9.453 1.00 0.00 N ATOM 219 CA SER A 13 7.170 1.174 -9.680 1.00 0.00 C ATOM 220 C SER A 13 7.882 1.479 -8.365 1.00 0.00 C ATOM 221 O SER A 13 7.249 1.842 -7.373 1.00 0.00 O ATOM 222 CB SER A 13 7.341 2.344 -10.650 1.00 0.00 C ATOM 223 OG SER A 13 7.468 1.885 -11.985 1.00 0.00 O ATOM 0 H SER A 13 5.312 1.527 -8.773 1.00 0.00 H new ATOM 0 HA SER A 13 7.618 0.281 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.484 3.013 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.223 2.922 -10.375 1.00 0.00 H new ATOM 0 HG SER A 13 8.414 1.733 -12.190 1.00 0.00 H new ATOM 229 N ARG A 14 9.203 1.331 -8.367 1.00 0.00 N ATOM 230 CA ARG A 14 10.002 1.589 -7.176 1.00 0.00 C ATOM 231 C ARG A 14 10.260 3.084 -7.008 1.00 0.00 C ATOM 232 O ARG A 14 10.597 3.546 -5.918 1.00 0.00 O ATOM 233 CB ARG A 14 11.332 0.837 -7.255 1.00 0.00 C ATOM 234 CG ARG A 14 12.197 1.252 -8.434 1.00 0.00 C ATOM 235 CD ARG A 14 12.098 0.252 -9.576 1.00 0.00 C ATOM 236 NE ARG A 14 13.349 0.148 -10.321 1.00 0.00 N ATOM 237 CZ ARG A 14 14.411 -0.522 -9.886 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.372 -1.144 -8.715 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.514 -0.571 -10.622 1.00 0.00 N ATOM 0 H ARG A 14 9.742 1.034 -9.180 1.00 0.00 H new ATOM 0 HA ARG A 14 9.443 1.234 -6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.888 1.001 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.132 -0.232 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.889 2.237 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.235 1.338 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.830 -0.727 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.297 0.552 -10.252 1.00 0.00 H new ATOM 0 HE ARG A 14 13.411 0.615 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.526 -1.109 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.188 -1.658 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.548 -0.094 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.328 -1.086 -10.287 1.00 0.00 H new ATOM 253 N GLN A 15 10.100 3.832 -8.095 1.00 0.00 N ATOM 254 CA GLN A 15 10.317 5.274 -8.067 1.00 0.00 C ATOM 255 C GLN A 15 9.562 5.916 -6.908 1.00 0.00 C ATOM 256 O GLN A 15 10.135 6.675 -6.127 1.00 0.00 O ATOM 257 CB GLN A 15 9.875 5.903 -9.390 1.00 0.00 C ATOM 258 CG GLN A 15 10.723 5.479 -10.578 1.00 0.00 C ATOM 259 CD GLN A 15 10.234 4.193 -11.215 1.00 0.00 C ATOM 260 OE1 GLN A 15 10.503 3.099 -10.718 1.00 0.00 O ATOM 261 NE2 GLN A 15 9.510 4.318 -12.321 1.00 0.00 N ATOM 0 H GLN A 15 9.821 3.464 -9.005 1.00 0.00 H new ATOM 0 HA GLN A 15 11.383 5.453 -7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.836 5.634 -9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.912 6.988 -9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.720 6.274 -11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.756 5.350 -10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.311 5.245 -12.698 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.153 3.487 -12.793 1.00 0.00 H new ATOM 270 N GLN A 16 8.273 5.607 -6.804 1.00 0.00 N ATOM 271 CA GLN A 16 7.440 6.155 -5.741 1.00 0.00 C ATOM 272 C GLN A 16 8.051 5.876 -4.371 1.00 0.00 C ATOM 273 O GLN A 16 7.914 6.676 -3.444 1.00 0.00 O ATOM 274 CB GLN A 16 6.030 5.566 -5.813 1.00 0.00 C ATOM 275 CG GLN A 16 4.945 6.608 -6.028 1.00 0.00 C ATOM 276 CD GLN A 16 4.449 7.211 -4.729 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.843 6.785 -3.643 1.00 0.00 O ATOM 278 NE2 GLN A 16 3.579 8.210 -4.834 1.00 0.00 N ATOM 0 H GLN A 16 7.784 4.980 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 16 7.382 7.235 -5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.990 4.839 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.824 5.024 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.330 7.401 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.107 6.151 -6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.280 8.531 -5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.210 8.656 -3.994 1.00 0.00 H new ATOM 287 N LEU A 17 8.725 4.738 -4.251 1.00 0.00 N ATOM 288 CA LEU A 17 9.358 4.353 -2.994 1.00 0.00 C ATOM 289 C LEU A 17 10.785 4.886 -2.917 1.00 0.00 C ATOM 290 O LEU A 17 11.412 4.856 -1.859 1.00 0.00 O ATOM 291 CB LEU A 17 9.362 2.830 -2.848 1.00 0.00 C ATOM 292 CG LEU A 17 7.991 2.165 -2.720 1.00 0.00 C ATOM 293 CD1 LEU A 17 8.022 0.763 -3.308 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.552 2.125 -1.263 1.00 0.00 C ATOM 0 H LEU A 17 8.847 4.066 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 17 8.782 4.789 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.871 2.403 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.953 2.571 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 17 7.267 2.756 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.038 0.305 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.292 0.817 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.758 0.161 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.574 1.649 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.277 1.557 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.490 3.141 -0.874 1.00 0.00 H new ATOM 306 N GLU A 18 11.290 5.377 -4.045 1.00 0.00 N ATOM 307 CA GLU A 18 12.642 5.919 -4.103 1.00 0.00 C ATOM 308 C GLU A 18 12.721 7.265 -3.389 1.00 0.00 C ATOM 309 O GLU A 18 13.685 7.546 -2.677 1.00 0.00 O ATOM 310 CB GLU A 18 13.091 6.074 -5.558 1.00 0.00 C ATOM 311 CG GLU A 18 13.419 4.755 -6.238 1.00 0.00 C ATOM 312 CD GLU A 18 14.889 4.395 -6.135 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.735 5.293 -6.329 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.193 3.215 -5.861 1.00 0.00 O ATOM 0 H GLU A 18 10.783 5.410 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 18 13.308 5.220 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.305 6.577 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.969 6.719 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.822 3.961 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.135 4.812 -7.289 1.00 0.00 H new ATOM 321 N ILE A 19 11.700 8.092 -3.586 1.00 0.00 N ATOM 322 CA ILE A 19 11.653 9.408 -2.961 1.00 0.00 C ATOM 323 C ILE A 19 12.070 9.337 -1.496 1.00 0.00 C ATOM 324 O ILE A 19 12.761 10.223 -0.992 1.00 0.00 O ATOM 325 CB ILE A 19 10.244 10.025 -3.052 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.751 10.013 -4.500 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.250 11.442 -2.499 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.567 9.100 -4.728 1.00 0.00 C ATOM 0 H ILE A 19 10.895 7.874 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 19 12.354 10.040 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 19 9.561 9.425 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.478 11.028 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.569 9.704 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.248 11.865 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.563 11.424 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.944 12.054 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.272 9.142 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.841 8.077 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.734 9.422 -4.103 1.00 0.00 H new ATOM 340 N LEU A 20 11.649 8.275 -0.818 1.00 0.00 N ATOM 341 CA LEU A 20 11.981 8.085 0.590 1.00 0.00 C ATOM 342 C LEU A 20 13.230 7.223 0.744 1.00 0.00 C ATOM 343 O LEU A 20 14.244 7.673 1.275 1.00 0.00 O ATOM 344 CB LEU A 20 10.807 7.440 1.328 1.00 0.00 C ATOM 345 CG LEU A 20 9.429 7.628 0.693 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.205 9.086 0.325 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.281 6.738 -0.533 1.00 0.00 C ATOM 0 H LEU A 20 11.077 7.532 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 20 12.182 9.064 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.002 6.371 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.776 7.842 2.341 1.00 0.00 H new ATOM 0 HG LEU A 20 8.672 7.338 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.219 9.200 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.267 9.701 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.968 9.403 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.294 6.885 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.046 6.997 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.397 5.694 -0.241 1.00 0.00 H new ATOM 359 N GLU A 21 13.147 5.982 0.274 1.00 0.00 N ATOM 360 CA GLU A 21 14.272 5.058 0.359 1.00 0.00 C ATOM 361 C GLU A 21 15.577 5.752 -0.022 1.00 0.00 C ATOM 362 O GLU A 21 16.651 5.383 0.453 1.00 0.00 O ATOM 363 CB GLU A 21 14.039 3.851 -0.553 1.00 0.00 C ATOM 364 CG GLU A 21 14.474 2.531 0.061 1.00 0.00 C ATOM 365 CD GLU A 21 15.936 2.529 0.463 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.796 2.720 -0.422 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.220 2.335 1.664 1.00 0.00 O ATOM 0 H GLU A 21 12.314 5.594 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 21 14.350 4.716 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.980 3.794 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.579 4.003 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.860 2.322 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.296 1.726 -0.652 1.00 0.00 H new ATOM 374 N THR A 22 15.475 6.760 -0.882 1.00 0.00 N ATOM 375 CA THR A 22 16.645 7.505 -1.328 1.00 0.00 C ATOM 376 C THR A 22 16.891 8.723 -0.445 1.00 0.00 C ATOM 377 O THR A 22 18.002 8.933 0.045 1.00 0.00 O ATOM 378 CB THR A 22 16.493 7.968 -2.790 1.00 0.00 C ATOM 379 OG1 THR A 22 16.156 6.854 -3.624 1.00 0.00 O ATOM 380 CG2 THR A 22 17.777 8.613 -3.290 1.00 0.00 C ATOM 0 H THR A 22 14.593 7.079 -1.284 1.00 0.00 H new ATOM 0 HA THR A 22 17.497 6.828 -1.255 1.00 0.00 H new ATOM 0 HB THR A 22 15.694 8.708 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.199 6.660 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.645 8.932 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.014 9.478 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.592 7.892 -3.234 1.00 0.00 H new ATOM 388 N LEU A 23 15.850 9.523 -0.244 1.00 0.00 N ATOM 389 CA LEU A 23 15.953 10.721 0.582 1.00 0.00 C ATOM 390 C LEU A 23 15.966 10.360 2.064 1.00 0.00 C ATOM 391 O LEU A 23 16.958 10.582 2.759 1.00 0.00 O ATOM 392 CB LEU A 23 14.790 11.670 0.286 1.00 0.00 C ATOM 393 CG LEU A 23 14.932 13.094 0.825 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.954 14.028 0.129 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.717 13.119 2.331 1.00 0.00 C ATOM 0 H LEU A 23 14.924 9.364 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 23 16.891 11.220 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.657 11.723 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.879 11.236 0.698 1.00 0.00 H new ATOM 0 HG LEU A 23 15.944 13.441 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.069 15.037 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.156 14.034 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.935 13.684 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.822 14.140 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.717 12.752 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.458 12.483 2.815 1.00 0.00 H new ATOM 407 N PHE A 24 14.859 9.802 2.542 1.00 0.00 N ATOM 408 CA PHE A 24 14.743 9.410 3.942 1.00 0.00 C ATOM 409 C PHE A 24 16.002 8.685 4.409 1.00 0.00 C ATOM 410 O PHE A 24 16.427 8.833 5.554 1.00 0.00 O ATOM 411 CB PHE A 24 13.520 8.512 4.142 1.00 0.00 C ATOM 412 CG PHE A 24 13.453 7.886 5.506 1.00 0.00 C ATOM 413 CD1 PHE A 24 12.951 8.596 6.584 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.893 6.588 5.709 1.00 0.00 C ATOM 415 CE1 PHE A 24 12.887 8.023 7.841 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.831 6.010 6.963 1.00 0.00 C ATOM 417 CZ PHE A 24 13.329 6.729 8.030 1.00 0.00 C ATOM 0 H PHE A 24 14.029 9.611 1.981 1.00 0.00 H new ATOM 0 HA PHE A 24 14.623 10.314 4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.617 9.099 3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.531 7.724 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 24 12.605 9.609 6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.289 6.022 4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.492 8.587 8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 24 14.175 4.997 7.108 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.282 6.279 9.011 1.00 0.00 H new ATOM 427 N ASN A 25 16.593 7.901 3.514 1.00 0.00 N ATOM 428 CA ASN A 25 17.803 7.152 3.834 1.00 0.00 C ATOM 429 C ASN A 25 19.029 8.059 3.799 1.00 0.00 C ATOM 430 O ASN A 25 19.892 7.986 4.673 1.00 0.00 O ATOM 431 CB ASN A 25 17.984 5.992 2.853 1.00 0.00 C ATOM 432 CG ASN A 25 19.021 4.992 3.326 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.051 5.367 3.887 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.754 3.711 3.100 1.00 0.00 N ATOM 0 H ASN A 25 16.254 7.768 2.561 1.00 0.00 H new ATOM 0 HA ASN A 25 17.697 6.753 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.030 5.484 2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.279 6.385 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.415 2.992 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.888 3.446 2.632 1.00 0.00 H new ATOM 441 N GLU A 26 19.098 8.913 2.782 1.00 0.00 N ATOM 442 CA GLU A 26 20.219 9.834 2.634 1.00 0.00 C ATOM 443 C GLU A 26 20.432 10.642 3.911 1.00 0.00 C ATOM 444 O GLU A 26 21.554 10.762 4.404 1.00 0.00 O ATOM 445 CB GLU A 26 19.979 10.778 1.454 1.00 0.00 C ATOM 446 CG GLU A 26 21.115 11.759 1.219 1.00 0.00 C ATOM 447 CD GLU A 26 22.435 11.068 0.938 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.410 9.893 0.514 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.492 11.700 1.143 1.00 0.00 O ATOM 0 H GLU A 26 18.392 8.986 2.050 1.00 0.00 H new ATOM 0 HA GLU A 26 21.117 9.246 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.828 10.186 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.059 11.336 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.863 12.407 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.224 12.399 2.094 1.00 0.00 H new ATOM 456 N THR A 27 19.346 11.196 4.442 1.00 0.00 N ATOM 457 CA THR A 27 19.413 11.994 5.660 1.00 0.00 C ATOM 458 C THR A 27 18.032 12.494 6.066 1.00 0.00 C ATOM 459 O THR A 27 17.062 12.335 5.325 1.00 0.00 O ATOM 460 CB THR A 27 20.354 13.201 5.489 1.00 0.00 C ATOM 461 OG1 THR A 27 20.633 13.412 4.100 1.00 0.00 O ATOM 462 CG2 THR A 27 21.656 12.985 6.246 1.00 0.00 C ATOM 0 H THR A 27 18.410 11.107 4.047 1.00 0.00 H new ATOM 0 HA THR A 27 19.806 11.345 6.443 1.00 0.00 H new ATOM 0 HB THR A 27 19.857 14.081 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.599 13.352 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.304 13.851 6.110 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.443 12.855 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.155 12.095 5.864 1.00 0.00 H new ATOM 470 N GLN A 28 17.950 13.098 7.246 1.00 0.00 N ATOM 471 CA GLN A 28 16.686 13.622 7.750 1.00 0.00 C ATOM 472 C GLN A 28 16.598 15.129 7.539 1.00 0.00 C ATOM 473 O GLN A 28 16.181 15.868 8.431 1.00 0.00 O ATOM 474 CB GLN A 28 16.529 13.293 9.236 1.00 0.00 C ATOM 475 CG GLN A 28 16.242 11.825 9.508 1.00 0.00 C ATOM 476 CD GLN A 28 16.085 11.525 10.985 1.00 0.00 C ATOM 477 OE1 GLN A 28 14.995 11.193 11.451 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.177 11.640 11.732 1.00 0.00 N ATOM 0 H GLN A 28 18.744 13.237 7.871 1.00 0.00 H new ATOM 0 HA GLN A 28 15.878 13.148 7.193 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.440 13.580 9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.720 13.895 9.649 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.332 11.533 8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.052 11.219 9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.060 11.918 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.132 11.450 12.733 1.00 0.00 H new ATOM 487 N TYR A 29 16.993 15.579 6.353 1.00 0.00 N ATOM 488 CA TYR A 29 16.961 17.000 6.025 1.00 0.00 C ATOM 489 C TYR A 29 15.917 17.288 4.950 1.00 0.00 C ATOM 490 O TYR A 29 16.233 17.462 3.773 1.00 0.00 O ATOM 491 CB TYR A 29 18.339 17.466 5.552 1.00 0.00 C ATOM 492 CG TYR A 29 19.348 17.604 6.669 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.726 16.505 7.431 1.00 0.00 C ATOM 494 CD2 TYR A 29 19.925 18.834 6.963 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.647 16.627 8.453 1.00 0.00 C ATOM 496 CE2 TYR A 29 20.848 18.964 7.982 1.00 0.00 C ATOM 497 CZ TYR A 29 21.206 17.858 8.725 1.00 0.00 C ATOM 498 OH TYR A 29 22.125 17.983 9.741 1.00 0.00 O ATOM 0 H TYR A 29 17.339 14.981 5.603 1.00 0.00 H new ATOM 0 HA TYR A 29 16.688 17.549 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.719 16.758 4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.235 18.426 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 29 19.292 15.539 7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 29 19.647 19.703 6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.928 15.763 9.036 1.00 0.00 H new ATOM 0 HE2 TYR A 29 21.288 19.927 8.196 1.00 0.00 H new ATOM 0 HH TYR A 29 22.422 18.915 9.801 1.00 0.00 H new ATOM 508 N PRO A 30 14.643 17.340 5.364 1.00 0.00 N ATOM 509 CA PRO A 30 13.525 17.608 4.454 1.00 0.00 C ATOM 510 C PRO A 30 13.522 19.046 3.947 1.00 0.00 C ATOM 511 O PRO A 30 12.749 19.879 4.420 1.00 0.00 O ATOM 512 CB PRO A 30 12.291 17.343 5.320 1.00 0.00 C ATOM 513 CG PRO A 30 12.753 17.571 6.717 1.00 0.00 C ATOM 514 CD PRO A 30 14.194 17.142 6.753 1.00 0.00 C ATOM 0 HA PRO A 30 13.573 16.991 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.473 18.014 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.924 16.326 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.651 18.620 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.157 16.994 7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.775 17.743 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.296 16.102 7.064 1.00 0.00 H new ATOM 522 N ASP A 31 14.391 19.331 2.983 1.00 0.00 N ATOM 523 CA ASP A 31 14.487 20.669 2.411 1.00 0.00 C ATOM 524 C ASP A 31 14.383 20.618 0.890 1.00 0.00 C ATOM 525 O ASP A 31 14.325 19.541 0.297 1.00 0.00 O ATOM 526 CB ASP A 31 15.804 21.329 2.823 1.00 0.00 C ATOM 527 CG ASP A 31 15.678 22.117 4.113 1.00 0.00 C ATOM 528 OD1 ASP A 31 15.824 21.511 5.195 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.434 23.339 4.039 1.00 0.00 O ATOM 0 H ASP A 31 15.039 18.653 2.581 1.00 0.00 H new ATOM 0 HA ASP A 31 13.657 21.262 2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.570 20.562 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.139 21.993 2.026 1.00 0.00 H new ATOM 534 N VAL A 32 14.359 21.790 0.264 1.00 0.00 N ATOM 535 CA VAL A 32 14.262 21.880 -1.188 1.00 0.00 C ATOM 536 C VAL A 32 15.328 21.025 -1.863 1.00 0.00 C ATOM 537 O VAL A 32 15.047 20.308 -2.824 1.00 0.00 O ATOM 538 CB VAL A 32 14.405 23.336 -1.671 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.161 24.139 -1.321 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.648 23.976 -1.072 1.00 0.00 C ATOM 0 H VAL A 32 14.405 22.691 0.740 1.00 0.00 H new ATOM 0 HA VAL A 32 13.275 21.509 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 32 14.513 23.332 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.280 25.165 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.291 23.691 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.019 24.137 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.733 25.004 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.573 23.970 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.530 23.413 -1.378 1.00 0.00 H new ATOM 550 N PHE A 33 16.553 21.106 -1.355 1.00 0.00 N ATOM 551 CA PHE A 33 17.663 20.339 -1.910 1.00 0.00 C ATOM 552 C PHE A 33 17.337 18.849 -1.933 1.00 0.00 C ATOM 553 O PHE A 33 17.901 18.091 -2.722 1.00 0.00 O ATOM 554 CB PHE A 33 18.935 20.582 -1.095 1.00 0.00 C ATOM 555 CG PHE A 33 19.916 21.496 -1.773 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.728 22.869 -1.756 1.00 0.00 C ATOM 557 CD2 PHE A 33 21.025 20.983 -2.426 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.628 23.712 -2.380 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.928 21.822 -3.051 1.00 0.00 C ATOM 560 CZ PHE A 33 21.730 23.188 -3.027 1.00 0.00 C ATOM 0 H PHE A 33 16.803 21.695 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 33 17.826 20.672 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.662 21.007 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.419 19.625 -0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.869 23.285 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.186 19.915 -2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.470 24.780 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.788 21.409 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.435 23.846 -3.513 1.00 0.00 H new ATOM 570 N ALA A 34 16.423 18.436 -1.061 1.00 0.00 N ATOM 571 CA ALA A 34 16.020 17.037 -0.982 1.00 0.00 C ATOM 572 C ALA A 34 14.894 16.733 -1.965 1.00 0.00 C ATOM 573 O ALA A 34 15.067 15.949 -2.898 1.00 0.00 O ATOM 574 CB ALA A 34 15.592 16.691 0.437 1.00 0.00 C ATOM 0 H ALA A 34 15.948 19.050 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 34 16.878 16.422 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.294 15.644 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.425 16.861 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.751 17.321 0.727 1.00 0.00 H new ATOM 580 N ARG A 35 13.741 17.359 -1.749 1.00 0.00 N ATOM 581 CA ARG A 35 12.587 17.153 -2.615 1.00 0.00 C ATOM 582 C ARG A 35 12.941 17.445 -4.071 1.00 0.00 C ATOM 583 O ARG A 35 12.589 16.681 -4.969 1.00 0.00 O ATOM 584 CB ARG A 35 11.426 18.045 -2.173 1.00 0.00 C ATOM 585 CG ARG A 35 11.791 19.517 -2.075 1.00 0.00 C ATOM 586 CD ARG A 35 10.668 20.330 -1.450 1.00 0.00 C ATOM 587 NE ARG A 35 11.112 21.055 -0.263 1.00 0.00 N ATOM 588 CZ ARG A 35 10.475 22.109 0.236 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.371 22.557 -0.346 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.941 22.716 1.320 1.00 0.00 N ATOM 0 H ARG A 35 13.582 18.012 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 35 12.285 16.109 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.602 17.930 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.066 17.703 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.697 19.629 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.012 19.905 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.281 21.038 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.846 19.666 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 35 11.958 20.735 0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.009 22.092 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.884 23.366 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.789 22.374 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.451 23.525 1.702 1.00 0.00 H new ATOM 604 N GLU A 36 13.637 18.555 -4.294 1.00 0.00 N ATOM 605 CA GLU A 36 14.036 18.948 -5.640 1.00 0.00 C ATOM 606 C GLU A 36 14.956 17.901 -6.262 1.00 0.00 C ATOM 607 O GLU A 36 15.043 17.783 -7.484 1.00 0.00 O ATOM 608 CB GLU A 36 14.738 20.307 -5.612 1.00 0.00 C ATOM 609 CG GLU A 36 15.084 20.842 -6.992 1.00 0.00 C ATOM 610 CD GLU A 36 15.127 22.357 -7.036 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.980 22.985 -5.967 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.307 22.914 -8.139 1.00 0.00 O ATOM 0 H GLU A 36 13.936 19.198 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 36 13.136 19.025 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.097 21.027 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.652 20.222 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.052 20.446 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.349 20.482 -7.712 1.00 0.00 H new ATOM 619 N ARG A 37 15.641 17.143 -5.411 1.00 0.00 N ATOM 620 CA ARG A 37 16.556 16.108 -5.876 1.00 0.00 C ATOM 621 C ARG A 37 15.790 14.866 -6.322 1.00 0.00 C ATOM 622 O ARG A 37 15.829 14.486 -7.493 1.00 0.00 O ATOM 623 CB ARG A 37 17.547 15.739 -4.770 1.00 0.00 C ATOM 624 CG ARG A 37 18.577 14.706 -5.196 1.00 0.00 C ATOM 625 CD ARG A 37 19.029 13.853 -4.021 1.00 0.00 C ATOM 626 NE ARG A 37 19.960 12.805 -4.431 1.00 0.00 N ATOM 627 CZ ARG A 37 21.213 13.040 -4.804 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.683 14.279 -4.818 1.00 0.00 N ATOM 629 NH2 ARG A 37 21.999 12.033 -5.164 1.00 0.00 N ATOM 0 H ARG A 37 15.579 17.227 -4.396 1.00 0.00 H new ATOM 0 HA ARG A 37 17.106 16.502 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.064 16.641 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.995 15.357 -3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.153 14.066 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.439 15.209 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.505 14.488 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.159 13.399 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 37 19.630 11.840 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.082 15.056 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.646 14.456 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.641 11.078 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.961 12.214 -5.450 1.00 0.00 H new ATOM 643 N VAL A 38 15.093 14.236 -5.381 1.00 0.00 N ATOM 644 CA VAL A 38 14.318 13.038 -5.676 1.00 0.00 C ATOM 645 C VAL A 38 13.360 13.276 -6.839 1.00 0.00 C ATOM 646 O VAL A 38 12.991 12.344 -7.553 1.00 0.00 O ATOM 647 CB VAL A 38 13.512 12.574 -4.449 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.418 11.871 -3.449 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.803 13.753 -3.800 1.00 0.00 C ATOM 0 H VAL A 38 15.050 14.537 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 38 15.031 12.260 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 38 12.756 11.863 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.831 11.550 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.875 11.001 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.198 12.557 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.238 13.406 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.540 14.490 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.122 14.209 -4.519 1.00 0.00 H new ATOM 659 N ALA A 39 12.962 14.530 -7.023 1.00 0.00 N ATOM 660 CA ALA A 39 12.049 14.891 -8.101 1.00 0.00 C ATOM 661 C ALA A 39 12.603 14.464 -9.456 1.00 0.00 C ATOM 662 O ALA A 39 11.847 14.169 -10.381 1.00 0.00 O ATOM 663 CB ALA A 39 11.782 16.389 -8.086 1.00 0.00 C ATOM 0 H ALA A 39 13.257 15.313 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 39 11.109 14.363 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.099 16.645 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.335 16.669 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.720 16.927 -8.219 1.00 0.00 H new ATOM 669 N ASP A 40 13.927 14.435 -9.565 1.00 0.00 N ATOM 670 CA ASP A 40 14.582 14.043 -10.808 1.00 0.00 C ATOM 671 C ASP A 40 14.719 12.526 -10.896 1.00 0.00 C ATOM 672 O ASP A 40 14.971 11.978 -11.969 1.00 0.00 O ATOM 673 CB ASP A 40 15.960 14.699 -10.911 1.00 0.00 C ATOM 674 CG ASP A 40 16.470 14.753 -12.338 1.00 0.00 C ATOM 675 OD1 ASP A 40 16.089 15.691 -13.069 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.251 13.859 -12.723 1.00 0.00 O ATOM 0 H ASP A 40 14.567 14.678 -8.809 1.00 0.00 H new ATOM 0 HA ASP A 40 13.963 14.382 -11.639 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.909 15.710 -10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.669 14.146 -10.295 1.00 0.00 H new ATOM 681 N GLN A 41 14.553 11.856 -9.761 1.00 0.00 N ATOM 682 CA GLN A 41 14.660 10.402 -9.710 1.00 0.00 C ATOM 683 C GLN A 41 13.386 9.744 -10.230 1.00 0.00 C ATOM 684 O GLN A 41 13.436 8.885 -11.111 1.00 0.00 O ATOM 685 CB GLN A 41 14.939 9.940 -8.279 1.00 0.00 C ATOM 686 CG GLN A 41 16.337 10.283 -7.790 1.00 0.00 C ATOM 687 CD GLN A 41 17.375 9.270 -8.232 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.075 8.086 -8.391 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.603 9.731 -8.434 1.00 0.00 N ATOM 0 H GLN A 41 14.344 12.296 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 41 15.490 10.101 -10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.208 10.394 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.797 8.861 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.616 11.269 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.333 10.342 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.807 10.720 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.343 9.096 -8.733 1.00 0.00 H new ATOM 698 N ILE A 42 12.248 10.153 -9.681 1.00 0.00 N ATOM 699 CA ILE A 42 10.962 9.603 -10.090 1.00 0.00 C ATOM 700 C ILE A 42 10.349 10.422 -11.222 1.00 0.00 C ATOM 701 O ILE A 42 9.305 10.063 -11.766 1.00 0.00 O ATOM 702 CB ILE A 42 9.970 9.553 -8.913 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.354 10.934 -8.678 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.666 9.056 -7.655 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.281 10.943 -7.612 1.00 0.00 C ATOM 0 H ILE A 42 12.190 10.864 -8.952 1.00 0.00 H new ATOM 0 HA ILE A 42 11.150 8.588 -10.439 1.00 0.00 H new ATOM 0 HB ILE A 42 9.169 8.856 -9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.142 11.631 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.929 11.297 -9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.952 9.026 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.061 8.055 -7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.484 9.730 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.889 11.954 -7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.473 10.271 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.706 10.610 -6.665 1.00 0.00 H new ATOM 717 N ARG A 43 11.007 11.522 -11.572 1.00 0.00 N ATOM 718 CA ARG A 43 10.528 12.392 -12.640 1.00 0.00 C ATOM 719 C ARG A 43 9.219 13.068 -12.243 1.00 0.00 C ATOM 720 O ARG A 43 8.175 12.829 -12.852 1.00 0.00 O ATOM 721 CB ARG A 43 10.331 11.592 -13.928 1.00 0.00 C ATOM 722 CG ARG A 43 10.235 12.457 -15.174 1.00 0.00 C ATOM 723 CD ARG A 43 11.554 13.152 -15.473 1.00 0.00 C ATOM 724 NE ARG A 43 11.566 13.755 -16.803 1.00 0.00 N ATOM 725 CZ ARG A 43 12.606 14.414 -17.302 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.712 14.554 -16.585 1.00 0.00 N ATOM 727 NH2 ARG A 43 12.541 14.934 -18.521 1.00 0.00 N ATOM 0 H ARG A 43 11.873 11.832 -11.132 1.00 0.00 H new ATOM 0 HA ARG A 43 11.279 13.164 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.161 10.895 -14.043 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.423 10.995 -13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.947 11.840 -16.025 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.451 13.203 -15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.735 13.923 -14.724 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.369 12.432 -15.394 1.00 0.00 H new ATOM 0 HE ARG A 43 10.730 13.665 -17.380 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.766 14.155 -15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.509 15.060 -16.971 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.692 14.828 -19.076 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.340 15.440 -18.903 1.00 0.00 H new ATOM 741 N LEU A 44 9.282 13.913 -11.220 1.00 0.00 N ATOM 742 CA LEU A 44 8.101 14.624 -10.741 1.00 0.00 C ATOM 743 C LEU A 44 8.474 16.008 -10.218 1.00 0.00 C ATOM 744 O LEU A 44 9.649 16.305 -10.006 1.00 0.00 O ATOM 745 CB LEU A 44 7.409 13.820 -9.640 1.00 0.00 C ATOM 746 CG LEU A 44 6.002 14.281 -9.255 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.103 14.331 -10.481 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.411 13.362 -8.196 1.00 0.00 C ATOM 0 H LEU A 44 10.138 14.123 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 44 7.415 14.745 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.354 12.779 -9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.036 13.848 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 44 6.071 15.286 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.106 14.661 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.517 15.030 -11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.040 13.338 -10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.410 13.705 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.356 12.346 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.043 13.376 -7.308 1.00 0.00 H new ATOM 760 N GLN A 45 7.465 16.848 -10.012 1.00 0.00 N ATOM 761 CA GLN A 45 7.688 18.199 -9.512 1.00 0.00 C ATOM 762 C GLN A 45 8.451 18.173 -8.192 1.00 0.00 C ATOM 763 O GLN A 45 8.418 17.180 -7.465 1.00 0.00 O ATOM 764 CB GLN A 45 6.353 18.924 -9.328 1.00 0.00 C ATOM 765 CG GLN A 45 6.190 20.137 -10.230 1.00 0.00 C ATOM 766 CD GLN A 45 7.350 21.106 -10.120 1.00 0.00 C ATOM 767 OE1 GLN A 45 8.115 21.289 -11.068 1.00 0.00 O ATOM 768 NE2 GLN A 45 7.488 21.735 -8.958 1.00 0.00 N ATOM 0 H GLN A 45 6.486 16.617 -10.183 1.00 0.00 H new ATOM 0 HA GLN A 45 8.288 18.736 -10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.540 18.225 -9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.261 19.239 -8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.095 19.806 -11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.265 20.653 -9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.831 21.554 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.251 22.399 -8.825 1.00 0.00 H new ATOM 777 N GLU A 46 9.138 19.270 -7.889 1.00 0.00 N ATOM 778 CA GLU A 46 9.910 19.371 -6.656 1.00 0.00 C ATOM 779 C GLU A 46 8.990 19.494 -5.446 1.00 0.00 C ATOM 780 O GLU A 46 9.120 18.748 -4.475 1.00 0.00 O ATOM 781 CB GLU A 46 10.855 20.574 -6.717 1.00 0.00 C ATOM 782 CG GLU A 46 11.694 20.625 -7.983 1.00 0.00 C ATOM 783 CD GLU A 46 12.381 21.964 -8.173 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.313 22.801 -7.249 1.00 0.00 O ATOM 785 OE2 GLU A 46 12.985 22.174 -9.246 1.00 0.00 O ATOM 0 H GLU A 46 9.176 20.101 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 46 10.499 18.460 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.269 21.490 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.518 20.549 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.446 19.837 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.058 20.421 -8.845 1.00 0.00 H new ATOM 792 N SER A 47 8.060 20.442 -5.511 1.00 0.00 N ATOM 793 CA SER A 47 7.120 20.667 -4.419 1.00 0.00 C ATOM 794 C SER A 47 6.063 19.567 -4.377 1.00 0.00 C ATOM 795 O SER A 47 5.500 19.272 -3.323 1.00 0.00 O ATOM 796 CB SER A 47 6.447 22.032 -4.570 1.00 0.00 C ATOM 797 OG SER A 47 5.632 22.326 -3.449 1.00 0.00 O ATOM 0 H SER A 47 7.938 21.066 -6.308 1.00 0.00 H new ATOM 0 HA SER A 47 7.677 20.647 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.207 22.805 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.842 22.044 -5.477 1.00 0.00 H new ATOM 0 HG SER A 47 5.214 23.204 -3.569 1.00 0.00 H new ATOM 803 N ARG A 48 5.798 18.965 -5.532 1.00 0.00 N ATOM 804 CA ARG A 48 4.808 17.900 -5.629 1.00 0.00 C ATOM 805 C ARG A 48 5.311 16.627 -4.954 1.00 0.00 C ATOM 806 O ARG A 48 4.599 16.011 -4.160 1.00 0.00 O ATOM 807 CB ARG A 48 4.477 17.615 -7.095 1.00 0.00 C ATOM 808 CG ARG A 48 3.365 16.595 -7.281 1.00 0.00 C ATOM 809 CD ARG A 48 2.005 17.185 -6.938 1.00 0.00 C ATOM 810 NE ARG A 48 1.708 18.374 -7.731 1.00 0.00 N ATOM 811 CZ ARG A 48 0.659 19.160 -7.514 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.188 18.883 -6.533 1.00 0.00 N ATOM 813 NH2 ARG A 48 0.456 20.224 -8.279 1.00 0.00 N ATOM 0 H ARG A 48 6.255 19.197 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 48 3.904 18.230 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.189 18.547 -7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.375 17.257 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.361 16.244 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.556 15.727 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.232 16.435 -7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.977 17.440 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 48 2.341 18.615 -8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.035 18.065 -5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.993 19.488 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.106 20.440 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.350 20.826 -8.111 1.00 0.00 H new ATOM 827 N ILE A 49 6.541 16.239 -5.275 1.00 0.00 N ATOM 828 CA ILE A 49 7.138 15.041 -4.699 1.00 0.00 C ATOM 829 C ILE A 49 7.078 15.074 -3.176 1.00 0.00 C ATOM 830 O ILE A 49 7.135 14.035 -2.520 1.00 0.00 O ATOM 831 CB ILE A 49 8.605 14.876 -5.140 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.928 13.398 -5.367 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.541 15.475 -4.101 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.345 13.154 -5.837 1.00 0.00 C ATOM 0 H ILE A 49 7.143 16.737 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 49 6.559 14.193 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 49 8.749 15.409 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.763 12.852 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.235 12.992 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.574 15.351 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.323 16.536 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.398 14.968 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.503 12.085 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.509 13.672 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.045 13.529 -5.091 1.00 0.00 H new ATOM 846 N GLN A 50 6.960 16.276 -2.620 1.00 0.00 N ATOM 847 CA GLN A 50 6.890 16.444 -1.173 1.00 0.00 C ATOM 848 C GLN A 50 5.675 15.724 -0.599 1.00 0.00 C ATOM 849 O GLN A 50 5.661 15.342 0.571 1.00 0.00 O ATOM 850 CB GLN A 50 6.834 17.930 -0.813 1.00 0.00 C ATOM 851 CG GLN A 50 7.911 18.359 0.170 1.00 0.00 C ATOM 852 CD GLN A 50 7.814 19.826 0.538 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.126 20.601 -0.127 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.505 20.217 1.603 1.00 0.00 N ATOM 0 H GLN A 50 6.911 17.147 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 50 7.788 16.005 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.930 18.520 -1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.856 18.156 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.833 17.756 1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.892 18.161 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.062 19.541 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.478 21.193 1.898 1.00 0.00 H new ATOM 863 N VAL A 51 4.654 15.540 -1.431 1.00 0.00 N ATOM 864 CA VAL A 51 3.434 14.865 -1.007 1.00 0.00 C ATOM 865 C VAL A 51 3.636 13.355 -0.938 1.00 0.00 C ATOM 866 O VAL A 51 3.062 12.680 -0.084 1.00 0.00 O ATOM 867 CB VAL A 51 2.262 15.172 -1.958 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.188 16.663 -2.250 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.400 14.374 -3.246 1.00 0.00 C ATOM 0 H VAL A 51 4.648 15.849 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 51 3.194 15.242 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 51 1.333 14.875 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.354 16.861 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.040 17.209 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.117 16.989 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.564 14.602 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.335 14.638 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.400 13.309 -3.016 1.00 0.00 H new ATOM 879 N TRP A 52 4.456 12.833 -1.843 1.00 0.00 N ATOM 880 CA TRP A 52 4.736 11.402 -1.885 1.00 0.00 C ATOM 881 C TRP A 52 5.867 11.040 -0.929 1.00 0.00 C ATOM 882 O TRP A 52 6.055 9.871 -0.589 1.00 0.00 O ATOM 883 CB TRP A 52 5.097 10.974 -3.309 1.00 0.00 C ATOM 884 CG TRP A 52 4.095 11.411 -4.333 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.351 12.072 -5.501 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.677 11.220 -4.281 1.00 0.00 C ATOM 887 NE1 TRP A 52 3.177 12.303 -6.177 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.136 11.789 -5.450 1.00 0.00 C ATOM 889 CE3 TRP A 52 1.811 10.621 -3.361 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.770 11.778 -5.721 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.456 10.611 -3.631 1.00 0.00 C ATOM 892 CH2 TRP A 52 -0.054 11.185 -4.803 1.00 0.00 C ATOM 0 H TRP A 52 4.938 13.379 -2.557 1.00 0.00 H new ATOM 0 HA TRP A 52 3.837 10.872 -1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.073 11.385 -3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.189 9.888 -3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.331 12.369 -5.843 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.094 12.780 -7.075 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.194 10.174 -2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.375 12.221 -6.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.222 10.153 -2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.118 11.159 -4.986 1.00 0.00 H new ATOM 903 N PHE A 53 6.617 12.048 -0.499 1.00 0.00 N ATOM 904 CA PHE A 53 7.731 11.835 0.418 1.00 0.00 C ATOM 905 C PHE A 53 7.262 11.131 1.689 1.00 0.00 C ATOM 906 O PHE A 53 8.061 10.539 2.415 1.00 0.00 O ATOM 907 CB PHE A 53 8.389 13.169 0.774 1.00 0.00 C ATOM 908 CG PHE A 53 9.454 13.051 1.827 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.555 12.234 1.629 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.353 13.756 3.015 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.536 12.122 2.597 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.331 13.649 3.987 1.00 0.00 C ATOM 913 CZ PHE A 53 11.424 12.832 3.777 1.00 0.00 C ATOM 0 H PHE A 53 6.474 13.021 -0.770 1.00 0.00 H new ATOM 0 HA PHE A 53 8.463 11.199 -0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.826 13.601 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.622 13.862 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.648 11.678 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.500 14.397 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.389 11.480 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.240 14.204 4.909 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.190 12.748 4.534 1.00 0.00 H new ATOM 923 N LYS A 54 5.962 11.201 1.951 1.00 0.00 N ATOM 924 CA LYS A 54 5.384 10.572 3.133 1.00 0.00 C ATOM 925 C LYS A 54 5.006 9.122 2.847 1.00 0.00 C ATOM 926 O LYS A 54 4.789 8.334 3.766 1.00 0.00 O ATOM 927 CB LYS A 54 4.151 11.349 3.599 1.00 0.00 C ATOM 928 CG LYS A 54 3.895 11.245 5.092 1.00 0.00 C ATOM 929 CD LYS A 54 2.476 10.784 5.384 1.00 0.00 C ATOM 930 CE LYS A 54 2.116 10.982 6.848 1.00 0.00 C ATOM 931 NZ LYS A 54 0.983 11.934 7.016 1.00 0.00 N ATOM 0 H LYS A 54 5.288 11.687 1.360 1.00 0.00 H new ATOM 0 HA LYS A 54 6.134 10.585 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.271 12.399 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.276 10.982 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.604 10.546 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.067 12.214 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.776 11.338 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.373 9.731 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.852 10.021 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.986 11.354 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.768 12.042 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.244 12.858 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.145 11.567 6.521 1.00 0.00 H new ATOM 945 N ASN A 55 4.930 8.777 1.565 1.00 0.00 N ATOM 946 CA ASN A 55 4.579 7.421 1.159 1.00 0.00 C ATOM 947 C ASN A 55 5.253 6.391 2.060 1.00 0.00 C ATOM 948 O ASN A 55 4.597 5.734 2.868 1.00 0.00 O ATOM 949 CB ASN A 55 4.982 7.183 -0.298 1.00 0.00 C ATOM 950 CG ASN A 55 4.978 5.711 -0.666 1.00 0.00 C ATOM 951 OD1 ASN A 55 5.962 5.188 -1.187 1.00 0.00 O ATOM 952 ND2 ASN A 55 3.866 5.037 -0.396 1.00 0.00 N ATOM 0 H ASN A 55 5.107 9.417 0.791 1.00 0.00 H new ATOM 0 HA ASN A 55 3.499 7.308 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.297 7.721 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.977 7.595 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.804 4.044 -0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.074 5.512 0.037 1.00 0.00 H new ATOM 959 N ARG A 56 6.567 6.256 1.914 1.00 0.00 N ATOM 960 CA ARG A 56 7.331 5.305 2.714 1.00 0.00 C ATOM 961 C ARG A 56 7.729 5.918 4.053 1.00 0.00 C ATOM 962 O ARG A 56 7.701 5.249 5.086 1.00 0.00 O ATOM 963 CB ARG A 56 8.581 4.856 1.955 1.00 0.00 C ATOM 964 CG ARG A 56 9.046 3.457 2.323 1.00 0.00 C ATOM 965 CD ARG A 56 10.466 3.467 2.868 1.00 0.00 C ATOM 966 NE ARG A 56 10.695 2.382 3.819 1.00 0.00 N ATOM 967 CZ ARG A 56 11.855 2.174 4.430 1.00 0.00 C ATOM 968 NH1 ARG A 56 12.887 2.971 4.191 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.986 1.165 5.283 1.00 0.00 N ATOM 0 H ARG A 56 7.125 6.793 1.250 1.00 0.00 H new ATOM 0 HA ARG A 56 6.699 4.438 2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.379 4.893 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.388 5.562 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.372 3.033 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.997 2.813 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.172 3.380 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.661 4.423 3.355 1.00 0.00 H new ATOM 0 HE ARG A 56 9.921 1.750 4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.791 3.747 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.777 2.808 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.195 0.549 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.878 1.006 5.752 1.00 0.00 H new ATOM 983 N ARG A 57 8.099 7.195 4.027 1.00 0.00 N ATOM 984 CA ARG A 57 8.504 7.897 5.239 1.00 0.00 C ATOM 985 C ARG A 57 7.491 7.679 6.359 1.00 0.00 C ATOM 986 O ARG A 57 7.840 7.703 7.538 1.00 0.00 O ATOM 987 CB ARG A 57 8.657 9.393 4.959 1.00 0.00 C ATOM 988 CG ARG A 57 8.913 10.223 6.207 1.00 0.00 C ATOM 989 CD ARG A 57 7.635 10.869 6.718 1.00 0.00 C ATOM 990 NE ARG A 57 7.904 12.076 7.495 1.00 0.00 N ATOM 991 CZ ARG A 57 6.977 12.722 8.194 1.00 0.00 C ATOM 992 NH1 ARG A 57 5.728 12.278 8.214 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.300 13.813 8.876 1.00 0.00 N ATOM 0 H ARG A 57 8.127 7.764 3.181 1.00 0.00 H new ATOM 0 HA ARG A 57 9.465 7.493 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.480 9.541 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.753 9.757 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.338 9.590 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.650 10.996 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.992 11.117 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.090 10.155 7.335 1.00 0.00 H new ATOM 0 HE ARG A 57 8.856 12.443 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.477 11.439 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.018 12.776 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.260 14.156 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.588 14.309 9.412 1.00 0.00 H new ATOM 1007 N ALA A 58 6.235 7.467 5.980 1.00 0.00 N ATOM 1008 CA ALA A 58 5.171 7.244 6.952 1.00 0.00 C ATOM 1009 C ALA A 58 5.044 5.764 7.295 1.00 0.00 C ATOM 1010 O ALA A 58 4.736 5.403 8.432 1.00 0.00 O ATOM 1011 CB ALA A 58 3.850 7.780 6.421 1.00 0.00 C ATOM 0 H ALA A 58 5.929 7.445 5.007 1.00 0.00 H new ATOM 0 HA ALA A 58 5.427 7.782 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.065 7.607 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.941 8.850 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.596 7.268 5.493 1.00 0.00 H new ATOM 1017 N LYS A 59 5.283 4.909 6.307 1.00 0.00 N ATOM 1018 CA LYS A 59 5.196 3.467 6.504 1.00 0.00 C ATOM 1019 C LYS A 59 6.125 3.014 7.625 1.00 0.00 C ATOM 1020 O LYS A 59 5.931 1.949 8.213 1.00 0.00 O ATOM 1021 CB LYS A 59 5.547 2.732 5.208 1.00 0.00 C ATOM 1022 CG LYS A 59 4.340 2.161 4.486 1.00 0.00 C ATOM 1023 CD LYS A 59 3.483 3.259 3.877 1.00 0.00 C ATOM 1024 CE LYS A 59 2.013 2.871 3.856 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.651 2.136 2.612 1.00 0.00 N ATOM 0 H LYS A 59 5.539 5.190 5.360 1.00 0.00 H new ATOM 0 HA LYS A 59 4.171 3.225 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.068 3.419 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.240 1.922 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.672 1.481 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.741 1.575 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.609 4.179 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.821 3.465 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.789 2.250 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.399 3.768 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.641 1.889 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.841 2.738 1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.218 1.267 2.545 1.00 0.00 H new ATOM 1039 N TYR A 60 7.133 3.828 7.918 1.00 0.00 N ATOM 1040 CA TYR A 60 8.092 3.510 8.969 1.00 0.00 C ATOM 1041 C TYR A 60 7.378 3.152 10.268 1.00 0.00 C ATOM 1042 O TYR A 60 7.892 2.383 11.081 1.00 0.00 O ATOM 1043 CB TYR A 60 9.036 4.692 9.201 1.00 0.00 C ATOM 1044 CG TYR A 60 8.563 5.642 10.278 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.440 6.437 10.086 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.240 5.745 11.487 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.004 7.307 11.067 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.811 6.611 12.474 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.693 7.390 12.260 1.00 0.00 C ATOM 1050 OH TYR A 60 7.263 8.254 13.240 1.00 0.00 O ATOM 0 H TYR A 60 7.307 4.713 7.442 1.00 0.00 H new ATOM 0 HA TYR A 60 8.674 2.647 8.646 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.021 4.312 9.471 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.151 5.243 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.898 6.374 9.154 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.117 5.138 11.658 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.129 7.918 10.901 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.348 6.678 13.409 1.00 0.00 H new ATOM 0 HH TYR A 60 7.857 8.190 14.016 1.00 0.00 H new ATOM 1060 N ARG A 61 6.189 3.716 10.457 1.00 0.00 N ATOM 1061 CA ARG A 61 5.403 3.457 11.658 1.00 0.00 C ATOM 1062 C ARG A 61 4.661 2.129 11.546 1.00 0.00 C ATOM 1063 O ARG A 61 4.487 1.417 12.536 1.00 0.00 O ATOM 1064 CB ARG A 61 4.406 4.593 11.894 1.00 0.00 C ATOM 1065 CG ARG A 61 3.270 4.626 10.885 1.00 0.00 C ATOM 1066 CD ARG A 61 2.853 6.052 10.561 1.00 0.00 C ATOM 1067 NE ARG A 61 2.361 6.759 11.740 1.00 0.00 N ATOM 1068 CZ ARG A 61 1.820 7.972 11.698 1.00 0.00 C ATOM 1069 NH1 ARG A 61 1.702 8.608 10.540 1.00 0.00 N ATOM 1070 NH2 ARG A 61 1.396 8.550 12.814 1.00 0.00 N ATOM 0 H ARG A 61 5.749 4.355 9.794 1.00 0.00 H new ATOM 0 HA ARG A 61 6.087 3.400 12.505 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.988 4.496 12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.937 5.544 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.579 4.120 9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.415 4.077 11.280 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.702 6.592 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.076 6.038 9.796 1.00 0.00 H new ATOM 0 HE ARG A 61 2.437 6.296 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.027 8.166 9.680 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.286 9.539 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.485 8.063 13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.981 9.481 12.780 1.00 0.00 H new ATOM 1084 N LEU A 62 4.225 1.801 10.335 1.00 0.00 N ATOM 1085 CA LEU A 62 3.500 0.558 10.093 1.00 0.00 C ATOM 1086 C LEU A 62 4.399 -0.651 10.330 1.00 0.00 C ATOM 1087 O LEU A 62 3.947 -1.686 10.818 1.00 0.00 O ATOM 1088 CB LEU A 62 2.956 0.532 8.664 1.00 0.00 C ATOM 1089 CG LEU A 62 1.691 -0.299 8.443 1.00 0.00 C ATOM 1090 CD1 LEU A 62 0.946 0.183 7.208 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.037 -1.775 8.317 1.00 0.00 C ATOM 0 H LEU A 62 4.361 2.378 9.505 1.00 0.00 H new ATOM 0 HA LEU A 62 2.666 0.510 10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.752 1.557 8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.737 0.151 8.006 1.00 0.00 H new ATOM 0 HG LEU A 62 1.040 -0.172 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.049 -0.419 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.665 1.228 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.590 0.086 6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.125 -2.350 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.708 -1.920 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.527 -2.113 9.230 1.00 0.00 H new ATOM 1103 N GLN A 63 5.674 -0.511 9.982 1.00 0.00 N ATOM 1104 CA GLN A 63 6.637 -1.592 10.158 1.00 0.00 C ATOM 1105 C GLN A 63 7.159 -1.628 11.591 1.00 0.00 C ATOM 1106 O GLN A 63 7.566 -2.678 12.086 1.00 0.00 O ATOM 1107 CB GLN A 63 7.803 -1.429 9.182 1.00 0.00 C ATOM 1108 CG GLN A 63 8.491 -0.076 9.276 1.00 0.00 C ATOM 1109 CD GLN A 63 9.910 -0.105 8.744 1.00 0.00 C ATOM 1110 OE1 GLN A 63 10.858 0.232 9.454 1.00 0.00 O ATOM 1111 NE2 GLN A 63 10.065 -0.510 7.489 1.00 0.00 N ATOM 0 H GLN A 63 6.064 0.340 9.577 1.00 0.00 H new ATOM 0 HA GLN A 63 6.129 -2.534 9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.536 -2.214 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.437 -1.571 8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.913 0.661 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.504 0.250 10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.252 -0.780 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.998 -0.551 7.078 1.00 0.00 H new ATOM 1120 N GLU A 64 7.144 -0.474 12.250 1.00 0.00 N ATOM 1121 CA GLU A 64 7.618 -0.375 13.626 1.00 0.00 C ATOM 1122 C GLU A 64 6.857 -1.336 14.534 1.00 0.00 C ATOM 1123 O GLU A 64 7.445 -2.229 15.144 1.00 0.00 O ATOM 1124 CB GLU A 64 7.464 1.058 14.139 1.00 0.00 C ATOM 1125 CG GLU A 64 8.471 1.431 15.215 1.00 0.00 C ATOM 1126 CD GLU A 64 8.768 2.917 15.246 1.00 0.00 C ATOM 1127 OE1 GLU A 64 7.808 3.712 15.323 1.00 0.00 O ATOM 1128 OE2 GLU A 64 9.960 3.286 15.193 1.00 0.00 O ATOM 0 H GLU A 64 6.809 0.405 11.854 1.00 0.00 H new ATOM 0 HA GLU A 64 8.673 -0.648 13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.568 1.748 13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.457 1.187 14.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.090 1.120 16.188 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.398 0.883 15.046 1.00 0.00 H new ATOM 1135 N LYS A 65 5.544 -1.147 14.619 1.00 0.00 N ATOM 1136 CA LYS A 65 4.701 -1.997 15.451 1.00 0.00 C ATOM 1137 C LYS A 65 4.691 -3.430 14.930 1.00 0.00 C ATOM 1138 O LYS A 65 4.510 -4.376 15.697 1.00 0.00 O ATOM 1139 CB LYS A 65 3.272 -1.448 15.492 1.00 0.00 C ATOM 1140 CG LYS A 65 2.548 -1.538 14.160 1.00 0.00 C ATOM 1141 CD LYS A 65 1.764 -2.834 14.038 1.00 0.00 C ATOM 1142 CE LYS A 65 0.451 -2.624 13.300 1.00 0.00 C ATOM 1143 NZ LYS A 65 -0.502 -1.795 14.088 1.00 0.00 N ATOM 0 H LYS A 65 5.041 -0.412 14.121 1.00 0.00 H new ATOM 0 HA LYS A 65 5.113 -1.999 16.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.703 -1.995 16.243 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.301 -0.406 15.811 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.870 -0.691 14.055 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.271 -1.471 13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.364 -3.575 13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.564 -3.234 15.032 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.646 -2.142 12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.002 -3.591 13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.475 -1.999 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.403 -2.019 15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.295 -0.787 13.935 1.00 0.00 H new ATOM 1157 N GLN A 66 4.888 -3.583 13.625 1.00 0.00 N ATOM 1158 CA GLN A 66 4.902 -4.902 13.004 1.00 0.00 C ATOM 1159 C GLN A 66 5.902 -5.820 13.699 1.00 0.00 C ATOM 1160 O GLN A 66 5.527 -6.843 14.273 1.00 0.00 O ATOM 1161 CB GLN A 66 5.247 -4.786 11.518 1.00 0.00 C ATOM 1162 CG GLN A 66 4.359 -5.631 10.620 1.00 0.00 C ATOM 1163 CD GLN A 66 4.953 -6.994 10.327 1.00 0.00 C ATOM 1164 OE1 GLN A 66 4.728 -7.954 11.064 1.00 0.00 O ATOM 1165 NE2 GLN A 66 5.718 -7.087 9.245 1.00 0.00 N ATOM 0 H GLN A 66 5.040 -2.810 12.977 1.00 0.00 H new ATOM 0 HA GLN A 66 3.907 -5.334 13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.167 -3.742 11.215 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.286 -5.082 11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.385 -5.758 11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.191 -5.103 9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.878 -6.266 8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.145 -7.980 8.998 1.00 0.00 H new ATOM 1174 N LYS A 67 7.176 -5.449 13.645 1.00 0.00 N ATOM 1175 CA LYS A 67 8.231 -6.237 14.270 1.00 0.00 C ATOM 1176 C LYS A 67 8.118 -6.190 15.790 1.00 0.00 C ATOM 1177 O LYS A 67 7.483 -5.303 16.362 1.00 0.00 O ATOM 1178 CB LYS A 67 9.606 -5.725 13.834 1.00 0.00 C ATOM 1179 CG LYS A 67 10.118 -6.369 12.557 1.00 0.00 C ATOM 1180 CD LYS A 67 11.051 -5.439 11.799 1.00 0.00 C ATOM 1181 CE LYS A 67 10.295 -4.601 10.779 1.00 0.00 C ATOM 1182 NZ LYS A 67 11.218 -3.830 9.902 1.00 0.00 N ATOM 0 H LYS A 67 7.504 -4.606 13.174 1.00 0.00 H new ATOM 0 HA LYS A 67 8.116 -7.272 13.947 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.554 -4.646 13.691 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.323 -5.906 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.642 -7.293 12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.275 -6.638 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.563 -4.783 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.818 -6.025 11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.670 -5.251 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.627 -3.913 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.665 -3.272 9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.797 -3.191 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.838 -4.487 9.388 1.00 0.00 H new ATOM 1196 N PRO A 68 8.749 -7.164 16.463 1.00 0.00 N ATOM 1197 CA PRO A 68 8.735 -7.253 17.926 1.00 0.00 C ATOM 1198 C PRO A 68 9.546 -6.141 18.582 1.00 0.00 C ATOM 1199 O PRO A 68 9.111 -5.539 19.564 1.00 0.00 O ATOM 1200 CB PRO A 68 9.374 -8.616 18.204 1.00 0.00 C ATOM 1201 CG PRO A 68 10.231 -8.882 17.015 1.00 0.00 C ATOM 1202 CD PRO A 68 9.525 -8.253 15.846 1.00 0.00 C ATOM 0 HA PRO A 68 7.729 -7.148 18.331 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.963 -8.597 19.121 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.617 -9.390 18.328 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.225 -8.454 17.147 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.363 -9.953 16.861 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.231 -7.875 15.106 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.879 -8.967 15.335 1.00 0.00 H new TER 1210 PRO A 68