USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0.423 USER MOD Set 2.2: A 29 THR OG1 : rot -64:sc= 0.577 USER MOD Set 2.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 64 SER OG : rot 180:sc= -1.52! USER MOD Single : A 1 MET CE :methyl -136:sc= -2.78 (180deg=-10.4!) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.965 (180deg=-0.424!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.54! C(o=-2.5!,f=-18!) USER MOD Single : A 15 ASN : amide:sc= -2.52! C(o=-2.5!,f=-3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.087 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.05 K(o=-2,f=-8.4!) USER MOD Single : A 37 ASN : amide:sc= -0.774 K(o=-0.77,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0465) USER MOD Single : A 42 MET CE :methyl -149:sc= -0.419 (180deg=-1.29) USER MOD Single : A 44 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.081) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0428 (180deg=-0.384) USER MOD Single : A 67 TYR OH : rot 112:sc= 0.577 USER MOD Single : A 77 MET CE :methyl 140:sc=-0.00812 (180deg=-2.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.494 -10.203 8.594 1.00 0.00 N ATOM 2 CA MET A 1 -11.098 -10.595 8.691 1.00 0.00 C ATOM 3 C MET A 1 -10.485 -10.117 10.008 1.00 0.00 C ATOM 4 O MET A 1 -11.189 -9.595 10.872 1.00 0.00 O ATOM 5 CB MET A 1 -10.317 -10.000 7.518 1.00 0.00 C ATOM 6 CG MET A 1 -10.446 -8.476 7.491 1.00 0.00 C ATOM 7 SD MET A 1 -12.005 -8.008 6.757 1.00 0.00 S ATOM 8 CE MET A 1 -11.938 -6.239 6.988 1.00 0.00 C ATOM 0 H1 MET A 1 -13.089 -11.053 8.520 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.763 -9.665 9.442 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.630 -9.610 7.750 1.00 0.00 H new ATOM 0 HA MET A 1 -11.043 -11.683 8.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.266 -10.278 7.598 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.687 -10.417 6.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.378 -8.079 8.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.623 -8.043 6.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.904 -5.882 7.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.169 -5.997 7.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.700 -5.757 6.040 1.00 0.00 H new ATOM 18 N ASP A 2 -9.179 -10.312 10.121 1.00 0.00 N ATOM 19 CA ASP A 2 -8.463 -9.907 11.319 1.00 0.00 C ATOM 20 C ASP A 2 -7.430 -8.839 10.953 1.00 0.00 C ATOM 21 O ASP A 2 -6.690 -8.992 9.983 1.00 0.00 O ATOM 22 CB ASP A 2 -7.719 -11.089 11.943 1.00 0.00 C ATOM 23 CG ASP A 2 -8.240 -11.531 13.312 1.00 0.00 C ATOM 24 OD1 ASP A 2 -8.982 -10.731 13.922 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.883 -12.658 13.718 1.00 0.00 O ATOM 0 H ASP A 2 -8.598 -10.745 9.403 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.191 -9.522 12.033 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.775 -11.936 11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.666 -10.826 12.039 1.00 0.00 H new ATOM 30 N ILE A 3 -7.413 -7.780 11.750 1.00 0.00 N ATOM 31 CA ILE A 3 -6.483 -6.687 11.523 1.00 0.00 C ATOM 32 C ILE A 3 -5.614 -6.495 12.767 1.00 0.00 C ATOM 33 O ILE A 3 -6.106 -6.584 13.892 1.00 0.00 O ATOM 34 CB ILE A 3 -7.235 -5.424 11.097 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.019 -5.663 9.804 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.282 -4.233 10.978 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.698 -4.377 9.330 1.00 0.00 C ATOM 0 H ILE A 3 -8.029 -7.656 12.554 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.811 -6.924 10.698 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.960 -5.179 11.873 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.346 -6.030 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.770 -6.436 9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.841 -3.348 10.674 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.808 -4.049 11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.517 -4.452 10.233 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.248 -4.574 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.388 -4.026 10.097 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.942 -3.614 9.145 1.00 0.00 H new ATOM 49 N LYS A 4 -4.338 -6.235 12.525 1.00 0.00 N ATOM 50 CA LYS A 4 -3.396 -6.030 13.612 1.00 0.00 C ATOM 51 C LYS A 4 -2.614 -4.738 13.366 1.00 0.00 C ATOM 52 O LYS A 4 -1.743 -4.691 12.498 1.00 0.00 O ATOM 53 CB LYS A 4 -2.508 -7.262 13.791 1.00 0.00 C ATOM 54 CG LYS A 4 -1.514 -7.394 12.636 1.00 0.00 C ATOM 55 CD LYS A 4 -0.939 -8.810 12.566 1.00 0.00 C ATOM 56 CE LYS A 4 0.582 -8.793 12.730 1.00 0.00 C ATOM 57 NZ LYS A 4 1.132 -10.162 12.608 1.00 0.00 N ATOM 0 H LYS A 4 -3.934 -6.162 11.591 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.925 -5.908 14.557 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.967 -7.191 14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.128 -8.157 13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.010 -7.152 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.705 -6.675 12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.386 -9.427 13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.200 -9.266 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.028 -8.147 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.844 -8.375 13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.165 -10.132 12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.720 -10.769 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.898 -10.548 11.671 1.00 0.00 H new ATOM 71 N ILE A 5 -2.953 -3.721 14.145 1.00 0.00 N ATOM 72 CA ILE A 5 -2.293 -2.432 14.023 1.00 0.00 C ATOM 73 C ILE A 5 -0.791 -2.609 14.258 1.00 0.00 C ATOM 74 O ILE A 5 -0.367 -2.937 15.365 1.00 0.00 O ATOM 75 CB ILE A 5 -2.944 -1.406 14.952 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.430 -1.240 14.628 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.195 -0.073 14.908 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.271 -1.222 15.907 1.00 0.00 C ATOM 0 H ILE A 5 -3.676 -3.764 14.863 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.414 -2.036 13.015 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.876 -1.779 15.974 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.584 -0.314 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.759 -2.055 13.984 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.679 0.638 15.577 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.163 -0.225 15.224 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.209 0.319 13.891 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.323 -1.103 15.649 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.133 -2.159 16.446 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.956 -0.391 16.538 1.00 0.00 H new ATOM 90 N ILE A 6 -0.028 -2.383 13.198 1.00 0.00 N ATOM 91 CA ILE A 6 1.417 -2.513 13.275 1.00 0.00 C ATOM 92 C ILE A 6 1.996 -1.294 13.995 1.00 0.00 C ATOM 93 O ILE A 6 2.412 -1.390 15.149 1.00 0.00 O ATOM 94 CB ILE A 6 2.009 -2.744 11.883 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.646 -4.134 11.357 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.521 -2.508 11.885 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.557 -5.204 11.962 1.00 0.00 C ATOM 0 H ILE A 6 -0.384 -2.111 12.282 1.00 0.00 H new ATOM 0 HA ILE A 6 1.690 -3.390 13.862 1.00 0.00 H new ATOM 0 HB ILE A 6 1.571 -2.017 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.607 -4.358 11.597 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.732 -4.150 10.271 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.917 -2.679 10.884 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.729 -1.482 12.187 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.996 -3.195 12.585 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.278 -6.183 11.572 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.593 -4.991 11.699 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.450 -5.202 13.047 1.00 0.00 H new ATOM 109 N LYS A 7 2.006 -0.176 13.285 1.00 0.00 N ATOM 110 CA LYS A 7 2.527 1.061 13.842 1.00 0.00 C ATOM 111 C LYS A 7 1.688 2.236 13.338 1.00 0.00 C ATOM 112 O LYS A 7 1.087 2.160 12.267 1.00 0.00 O ATOM 113 CB LYS A 7 4.021 1.196 13.540 1.00 0.00 C ATOM 114 CG LYS A 7 4.866 0.634 14.685 1.00 0.00 C ATOM 115 CD LYS A 7 6.086 1.517 14.952 1.00 0.00 C ATOM 116 CE LYS A 7 5.836 2.453 16.137 1.00 0.00 C ATOM 117 NZ LYS A 7 6.747 3.618 16.079 1.00 0.00 N ATOM 0 H LYS A 7 1.661 -0.101 12.328 1.00 0.00 H new ATOM 0 HA LYS A 7 2.444 1.055 14.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.258 0.669 12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.270 2.245 13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.260 0.563 15.588 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.191 -0.377 14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.955 0.891 15.155 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.317 2.104 14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.800 2.793 16.127 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.985 1.913 17.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.564 4.243 16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.733 3.289 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.585 4.142 15.195 1.00 0.00 H new ATOM 131 N ASP A 8 1.675 3.297 14.132 1.00 0.00 N ATOM 132 CA ASP A 8 0.920 4.487 13.780 1.00 0.00 C ATOM 133 C ASP A 8 1.858 5.695 13.766 1.00 0.00 C ATOM 134 O ASP A 8 2.378 6.093 14.807 1.00 0.00 O ATOM 135 CB ASP A 8 -0.188 4.759 14.800 1.00 0.00 C ATOM 136 CG ASP A 8 -0.638 6.218 14.892 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.736 6.851 13.818 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.874 6.668 16.034 1.00 0.00 O ATOM 0 H ASP A 8 2.176 3.357 15.019 1.00 0.00 H new ATOM 0 HA ASP A 8 0.474 4.325 12.799 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.052 4.143 14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.157 4.438 15.783 1.00 0.00 H new ATOM 143 N LYS A 9 2.045 6.246 12.576 1.00 0.00 N ATOM 144 CA LYS A 9 2.911 7.401 12.413 1.00 0.00 C ATOM 145 C LYS A 9 2.055 8.665 12.316 1.00 0.00 C ATOM 146 O LYS A 9 0.945 8.629 11.786 1.00 0.00 O ATOM 147 CB LYS A 9 3.852 7.202 11.223 1.00 0.00 C ATOM 148 CG LYS A 9 4.492 8.527 10.804 1.00 0.00 C ATOM 149 CD LYS A 9 5.927 8.312 10.318 1.00 0.00 C ATOM 150 CE LYS A 9 6.345 9.410 9.338 1.00 0.00 C ATOM 151 NZ LYS A 9 7.314 10.331 9.972 1.00 0.00 N ATOM 0 H LYS A 9 1.611 5.914 11.715 1.00 0.00 H new ATOM 0 HA LYS A 9 3.557 7.519 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.630 6.485 11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.299 6.779 10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.901 8.986 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.489 9.219 11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.606 8.303 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.009 7.338 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.789 8.962 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.467 9.966 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.587 11.070 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.878 10.772 10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.159 9.799 10.263 1.00 0.00 H new ATOM 165 N LYS A 10 2.603 9.754 12.836 1.00 0.00 N ATOM 166 CA LYS A 10 1.903 11.027 12.815 1.00 0.00 C ATOM 167 C LYS A 10 2.655 12.003 11.908 1.00 0.00 C ATOM 168 O LYS A 10 3.878 11.932 11.794 1.00 0.00 O ATOM 169 CB LYS A 10 1.694 11.548 14.238 1.00 0.00 C ATOM 170 CG LYS A 10 0.215 11.834 14.506 1.00 0.00 C ATOM 171 CD LYS A 10 0.050 12.880 15.610 1.00 0.00 C ATOM 172 CE LYS A 10 -1.429 13.161 15.882 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.577 14.281 16.838 1.00 0.00 N ATOM 0 H LYS A 10 3.524 9.781 13.274 1.00 0.00 H new ATOM 0 HA LYS A 10 0.905 10.905 12.395 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.062 10.814 14.955 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.276 12.458 14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.262 12.187 13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.291 10.913 14.795 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.531 12.529 16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.552 13.803 15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.937 13.403 14.948 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.907 12.267 16.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.587 14.458 17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.110 14.036 17.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.139 15.136 16.441 1.00 0.00 H new ATOM 187 N ASN A 11 1.894 12.890 11.285 1.00 0.00 N ATOM 188 CA ASN A 11 2.473 13.878 10.392 1.00 0.00 C ATOM 189 C ASN A 11 1.563 15.107 10.338 1.00 0.00 C ATOM 190 O ASN A 11 0.621 15.152 9.549 1.00 0.00 O ATOM 191 CB ASN A 11 2.606 13.326 8.971 1.00 0.00 C ATOM 192 CG ASN A 11 3.121 14.400 8.011 1.00 0.00 C ATOM 193 OD1 ASN A 11 3.201 15.573 8.336 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.464 13.936 6.813 1.00 0.00 N ATOM 0 H ASN A 11 0.880 12.945 11.381 1.00 0.00 H new ATOM 0 HA ASN A 11 3.461 14.137 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.288 12.475 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.639 12.960 8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.819 14.575 6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.372 12.941 6.606 1.00 0.00 H new ATOM 201 N PRO A 12 1.886 16.100 11.210 1.00 0.00 N ATOM 202 CA PRO A 12 1.108 17.326 11.269 1.00 0.00 C ATOM 203 C PRO A 12 1.416 18.229 10.073 1.00 0.00 C ATOM 204 O PRO A 12 0.662 19.156 9.780 1.00 0.00 O ATOM 205 CB PRO A 12 1.473 17.959 12.602 1.00 0.00 C ATOM 206 CG PRO A 12 2.780 17.310 13.028 1.00 0.00 C ATOM 207 CD PRO A 12 2.995 16.081 12.159 1.00 0.00 C ATOM 0 HA PRO A 12 0.034 17.147 11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.587 19.039 12.503 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.692 17.787 13.343 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.609 18.009 12.913 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.742 17.031 14.081 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.956 16.122 11.646 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.990 15.169 12.755 1.00 0.00 H new ATOM 215 N LEU A 13 2.526 17.927 9.415 1.00 0.00 N ATOM 216 CA LEU A 13 2.943 18.700 8.257 1.00 0.00 C ATOM 217 C LEU A 13 1.870 18.602 7.171 1.00 0.00 C ATOM 218 O LEU A 13 1.260 19.605 6.803 1.00 0.00 O ATOM 219 CB LEU A 13 4.332 18.260 7.792 1.00 0.00 C ATOM 220 CG LEU A 13 5.428 18.259 8.859 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.671 17.515 8.368 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.754 19.684 9.312 1.00 0.00 C ATOM 0 H LEU A 13 3.149 17.158 9.662 1.00 0.00 H new ATOM 0 HA LEU A 13 3.039 19.754 8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.253 17.254 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.645 18.915 6.979 1.00 0.00 H new ATOM 0 HG LEU A 13 5.055 17.722 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.435 17.529 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.409 16.483 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.056 18.002 7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.536 19.655 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.098 20.267 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.860 20.146 9.730 1.00 0.00 H new ATOM 234 N LEU A 14 1.673 17.384 6.686 1.00 0.00 N ATOM 235 CA LEU A 14 0.685 17.142 5.649 1.00 0.00 C ATOM 236 C LEU A 14 -0.707 17.082 6.281 1.00 0.00 C ATOM 237 O LEU A 14 -1.714 17.215 5.587 1.00 0.00 O ATOM 238 CB LEU A 14 1.049 15.894 4.843 1.00 0.00 C ATOM 239 CG LEU A 14 2.421 15.909 4.166 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.688 14.590 3.437 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.560 17.116 3.236 1.00 0.00 C ATOM 0 H LEU A 14 2.181 16.555 6.993 1.00 0.00 H new ATOM 0 HA LEU A 14 0.675 17.964 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.003 15.031 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.289 15.747 4.076 1.00 0.00 H new ATOM 0 HG LEU A 14 3.182 16.009 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.670 14.628 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.660 13.767 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.924 14.434 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.544 17.103 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.791 17.072 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.445 18.034 3.812 1.00 0.00 H new ATOM 253 N ASN A 15 -0.719 16.882 7.590 1.00 0.00 N ATOM 254 CA ASN A 15 -1.971 16.802 8.324 1.00 0.00 C ATOM 255 C ASN A 15 -2.619 15.439 8.072 1.00 0.00 C ATOM 256 O ASN A 15 -3.827 15.352 7.857 1.00 0.00 O ATOM 257 CB ASN A 15 -2.950 17.883 7.861 1.00 0.00 C ATOM 258 CG ASN A 15 -4.019 18.147 8.923 1.00 0.00 C ATOM 259 OD1 ASN A 15 -5.185 17.829 8.760 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.557 18.745 10.018 1.00 0.00 N ATOM 0 H ASN A 15 0.118 16.773 8.162 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.751 16.943 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.407 18.804 7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.426 17.573 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.192 18.964 10.786 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.568 18.984 10.090 1.00 0.00 H new ATOM 267 N ARG A 16 -1.787 14.409 8.109 1.00 0.00 N ATOM 268 CA ARG A 16 -2.263 13.054 7.888 1.00 0.00 C ATOM 269 C ARG A 16 -1.733 12.121 8.978 1.00 0.00 C ATOM 270 O ARG A 16 -1.194 12.579 9.984 1.00 0.00 O ATOM 271 CB ARG A 16 -1.821 12.531 6.519 1.00 0.00 C ATOM 272 CG ARG A 16 -0.344 12.134 6.535 1.00 0.00 C ATOM 273 CD ARG A 16 0.276 12.271 5.143 1.00 0.00 C ATOM 274 NE ARG A 16 0.263 10.962 4.452 1.00 0.00 N ATOM 275 CZ ARG A 16 0.488 10.802 3.141 1.00 0.00 C ATOM 276 NH1 ARG A 16 0.744 11.868 2.371 1.00 0.00 N ATOM 277 NH2 ARG A 16 0.456 9.577 2.600 1.00 0.00 N ATOM 0 H ARG A 16 -0.786 14.485 8.289 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.352 13.076 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.430 11.671 6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.987 13.297 5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.198 12.763 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.244 11.106 6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.279 13.005 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.299 12.638 5.226 1.00 0.00 H new ATOM 0 HE ARG A 16 0.071 10.129 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.768 12.801 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.915 11.747 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.260 8.766 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.627 9.456 1.602 1.00 0.00 H new ATOM 291 N ARG A 17 -1.905 10.828 8.741 1.00 0.00 N ATOM 292 CA ARG A 17 -1.451 9.827 9.691 1.00 0.00 C ATOM 293 C ARG A 17 -1.221 8.490 8.983 1.00 0.00 C ATOM 294 O ARG A 17 -2.162 7.886 8.469 1.00 0.00 O ATOM 295 CB ARG A 17 -2.469 9.632 10.815 1.00 0.00 C ATOM 296 CG ARG A 17 -1.826 9.862 12.184 1.00 0.00 C ATOM 297 CD ARG A 17 -2.868 10.303 13.213 1.00 0.00 C ATOM 298 NE ARG A 17 -3.052 9.246 14.233 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.679 9.431 15.402 1.00 0.00 C ATOM 300 NH1 ARG A 17 -4.187 10.633 15.708 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.799 8.414 16.267 1.00 0.00 N ATOM 0 H ARG A 17 -2.352 10.451 7.905 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.514 10.180 10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.302 10.322 10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.880 8.624 10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.343 8.945 12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.048 10.621 12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.550 11.229 13.691 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.816 10.510 12.717 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.678 8.318 14.033 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.096 11.407 15.050 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.664 10.773 16.598 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.413 7.499 16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.277 8.555 17.157 1.00 0.00 H new ATOM 315 N GLU A 18 0.034 8.067 8.978 1.00 0.00 N ATOM 316 CA GLU A 18 0.399 6.813 8.342 1.00 0.00 C ATOM 317 C GLU A 18 0.295 5.660 9.342 1.00 0.00 C ATOM 318 O GLU A 18 1.089 5.570 10.277 1.00 0.00 O ATOM 319 CB GLU A 18 1.804 6.891 7.740 1.00 0.00 C ATOM 320 CG GLU A 18 1.976 8.168 6.914 1.00 0.00 C ATOM 321 CD GLU A 18 1.908 7.865 5.416 1.00 0.00 C ATOM 322 OE1 GLU A 18 0.910 7.231 5.010 1.00 0.00 O ATOM 323 OE2 GLU A 18 2.855 8.273 4.711 1.00 0.00 O ATOM 0 H GLU A 18 0.812 8.571 9.405 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.300 6.626 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.547 6.866 8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.983 6.019 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.199 8.885 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.933 8.633 7.152 1.00 0.00 H new ATOM 330 N LEU A 19 -0.691 4.806 9.111 1.00 0.00 N ATOM 331 CA LEU A 19 -0.910 3.662 9.980 1.00 0.00 C ATOM 332 C LEU A 19 -0.645 2.374 9.198 1.00 0.00 C ATOM 333 O LEU A 19 -1.098 2.229 8.064 1.00 0.00 O ATOM 334 CB LEU A 19 -2.304 3.725 10.608 1.00 0.00 C ATOM 335 CG LEU A 19 -2.759 5.102 11.095 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.995 5.574 10.327 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.990 5.100 12.607 1.00 0.00 C ATOM 0 H LEU A 19 -1.348 4.883 8.334 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.209 3.678 10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.027 3.363 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.332 3.036 11.452 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.961 5.817 10.892 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.298 6.555 10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.760 5.639 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.809 4.864 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.313 6.091 12.927 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.760 4.369 12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.063 4.838 13.116 1.00 0.00 H new ATOM 349 N ASP A 20 0.088 1.473 9.835 1.00 0.00 N ATOM 350 CA ASP A 20 0.418 0.202 9.213 1.00 0.00 C ATOM 351 C ASP A 20 -0.255 -0.931 9.989 1.00 0.00 C ATOM 352 O ASP A 20 -0.320 -0.895 11.217 1.00 0.00 O ATOM 353 CB ASP A 20 1.928 -0.044 9.232 1.00 0.00 C ATOM 354 CG ASP A 20 2.654 0.285 7.926 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.968 0.286 6.880 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.877 0.527 8.001 1.00 0.00 O ATOM 0 H ASP A 20 0.463 1.598 10.775 1.00 0.00 H new ATOM 0 HA ASP A 20 0.070 0.231 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.367 0.550 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.107 -1.091 9.476 1.00 0.00 H new ATOM 361 N PHE A 21 -0.740 -1.911 9.241 1.00 0.00 N ATOM 362 CA PHE A 21 -1.407 -3.053 9.843 1.00 0.00 C ATOM 363 C PHE A 21 -1.400 -4.255 8.896 1.00 0.00 C ATOM 364 O PHE A 21 -1.151 -4.106 7.700 1.00 0.00 O ATOM 365 CB PHE A 21 -2.855 -2.637 10.109 1.00 0.00 C ATOM 366 CG PHE A 21 -3.660 -2.341 8.842 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.546 -1.131 8.231 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.489 -3.288 8.326 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.293 -0.856 7.055 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.236 -3.013 7.150 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.122 -1.803 6.539 1.00 0.00 C ATOM 0 H PHE A 21 -0.684 -1.938 8.223 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.892 -3.343 10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.353 -3.430 10.667 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.857 -1.751 10.744 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.887 -0.379 8.640 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.579 -4.249 8.811 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.203 0.105 6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.895 -3.765 6.741 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.690 -1.594 5.644 1.00 0.00 H new ATOM 381 N ILE A 22 -1.675 -5.419 9.466 1.00 0.00 N ATOM 382 CA ILE A 22 -1.704 -6.645 8.687 1.00 0.00 C ATOM 383 C ILE A 22 -3.124 -7.214 8.691 1.00 0.00 C ATOM 384 O ILE A 22 -3.767 -7.280 9.737 1.00 0.00 O ATOM 385 CB ILE A 22 -0.647 -7.627 9.196 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.748 -6.999 9.162 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.702 -8.944 8.418 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.157 -6.650 7.729 1.00 0.00 C ATOM 0 H ILE A 22 -1.880 -5.539 10.458 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.445 -6.442 7.648 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.870 -7.858 10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.761 -6.099 9.777 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.473 -7.690 9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.059 -9.624 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.686 -9.397 8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.519 -8.750 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.152 -6.205 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.167 -7.556 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.444 -5.940 7.310 1.00 0.00 H new ATOM 400 N VAL A 23 -3.572 -7.609 7.508 1.00 0.00 N ATOM 401 CA VAL A 23 -4.904 -8.170 7.362 1.00 0.00 C ATOM 402 C VAL A 23 -4.801 -9.691 7.231 1.00 0.00 C ATOM 403 O VAL A 23 -4.090 -10.196 6.364 1.00 0.00 O ATOM 404 CB VAL A 23 -5.620 -7.515 6.179 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.127 -7.772 6.240 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.322 -6.016 6.118 1.00 0.00 C ATOM 0 H VAL A 23 -3.036 -7.552 6.642 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.506 -7.960 8.246 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.239 -7.969 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.612 -7.296 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.315 -8.845 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.530 -7.358 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.843 -5.576 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.661 -5.540 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.249 -5.863 6.004 1.00 0.00 H new ATOM 416 N LYS A 24 -5.522 -10.378 8.106 1.00 0.00 N ATOM 417 CA LYS A 24 -5.520 -11.831 8.099 1.00 0.00 C ATOM 418 C LYS A 24 -6.960 -12.337 7.984 1.00 0.00 C ATOM 419 O LYS A 24 -7.881 -11.727 8.525 1.00 0.00 O ATOM 420 CB LYS A 24 -4.774 -12.371 9.320 1.00 0.00 C ATOM 421 CG LYS A 24 -3.287 -12.561 9.014 1.00 0.00 C ATOM 422 CD LYS A 24 -2.477 -12.718 10.303 1.00 0.00 C ATOM 423 CE LYS A 24 -1.055 -13.194 10.002 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.925 -14.644 10.271 1.00 0.00 N ATOM 0 H LYS A 24 -6.111 -9.955 8.824 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.979 -12.208 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.892 -11.682 10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.210 -13.322 9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.151 -13.441 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.916 -11.706 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.441 -11.766 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.971 -13.431 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.809 -12.988 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.343 -12.640 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.047 -14.950 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.139 -14.832 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.591 -15.170 9.670 1.00 0.00 H new ATOM 438 N TYR A 25 -7.108 -13.448 7.277 1.00 0.00 N ATOM 439 CA TYR A 25 -8.419 -14.043 7.084 1.00 0.00 C ATOM 440 C TYR A 25 -8.299 -15.512 6.673 1.00 0.00 C ATOM 441 O TYR A 25 -7.194 -16.022 6.493 1.00 0.00 O ATOM 442 CB TYR A 25 -9.075 -13.259 5.947 1.00 0.00 C ATOM 443 CG TYR A 25 -8.178 -13.070 4.722 1.00 0.00 C ATOM 444 CD1 TYR A 25 -8.143 -14.035 3.736 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.403 -11.934 4.604 1.00 0.00 C ATOM 446 CE1 TYR A 25 -7.298 -13.857 2.584 1.00 0.00 C ATOM 447 CE2 TYR A 25 -6.558 -11.756 3.451 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.547 -12.726 2.498 1.00 0.00 C ATOM 449 OH TYR A 25 -5.749 -12.558 1.410 1.00 0.00 O ATOM 0 H TYR A 25 -6.341 -13.952 6.831 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.998 -14.003 8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.985 -13.775 5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.374 -12.279 6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.750 -14.924 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.430 -11.179 5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.261 -14.605 1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.947 -10.872 3.346 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.272 -11.705 1.483 1.00 0.00 H new ATOM 459 N GLU A 26 -9.452 -16.150 6.535 1.00 0.00 N ATOM 460 CA GLU A 26 -9.490 -17.550 6.147 1.00 0.00 C ATOM 461 C GLU A 26 -10.530 -17.768 5.046 1.00 0.00 C ATOM 462 O GLU A 26 -11.652 -18.190 5.321 1.00 0.00 O ATOM 463 CB GLU A 26 -9.775 -18.446 7.355 1.00 0.00 C ATOM 464 CG GLU A 26 -8.476 -18.990 7.953 1.00 0.00 C ATOM 465 CD GLU A 26 -8.197 -18.362 9.320 1.00 0.00 C ATOM 466 OE1 GLU A 26 -7.589 -17.270 9.330 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.597 -18.990 10.324 1.00 0.00 O ATOM 0 H GLU A 26 -10.366 -15.724 6.685 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.511 -17.825 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.319 -17.880 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.416 -19.275 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.543 -20.073 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.646 -18.783 7.278 1.00 0.00 H new ATOM 474 N GLY A 27 -10.119 -17.471 3.822 1.00 0.00 N ATOM 475 CA GLY A 27 -11.001 -17.629 2.678 1.00 0.00 C ATOM 476 C GLY A 27 -10.838 -16.467 1.696 1.00 0.00 C ATOM 477 O GLY A 27 -9.746 -15.921 1.550 1.00 0.00 O ATOM 0 H GLY A 27 -9.187 -17.122 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.783 -18.570 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.036 -17.681 3.016 1.00 0.00 H new ATOM 481 N SER A 28 -11.941 -16.124 1.047 1.00 0.00 N ATOM 482 CA SER A 28 -11.934 -15.037 0.082 1.00 0.00 C ATOM 483 C SER A 28 -11.271 -13.801 0.692 1.00 0.00 C ATOM 484 O SER A 28 -11.422 -13.535 1.883 1.00 0.00 O ATOM 485 CB SER A 28 -13.354 -14.704 -0.382 1.00 0.00 C ATOM 486 OG SER A 28 -14.243 -15.804 -0.211 1.00 0.00 O ATOM 0 H SER A 28 -12.845 -16.579 1.170 1.00 0.00 H new ATOM 0 HA SER A 28 -11.362 -15.356 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.727 -13.846 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.334 -14.414 -1.433 1.00 0.00 H new ATOM 0 HG SER A 28 -15.139 -15.551 -0.517 1.00 0.00 H new ATOM 492 N THR A 29 -10.551 -13.077 -0.153 1.00 0.00 N ATOM 493 CA THR A 29 -9.865 -11.875 0.288 1.00 0.00 C ATOM 494 C THR A 29 -10.876 -10.786 0.651 1.00 0.00 C ATOM 495 O THR A 29 -11.938 -10.690 0.036 1.00 0.00 O ATOM 496 CB THR A 29 -8.890 -11.456 -0.814 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.787 -12.345 -0.658 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.289 -10.070 -0.569 1.00 0.00 C ATOM 0 H THR A 29 -10.428 -13.300 -1.141 1.00 0.00 H new ATOM 0 HA THR A 29 -9.292 -12.058 1.197 1.00 0.00 H new ATOM 0 HB THR A 29 -9.404 -11.464 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.361 -12.189 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.605 -9.822 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.088 -9.329 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.746 -10.071 0.376 1.00 0.00 H new ATOM 506 N PRO A 30 -10.502 -9.971 1.673 1.00 0.00 N ATOM 507 CA PRO A 30 -11.364 -8.893 2.125 1.00 0.00 C ATOM 508 C PRO A 30 -11.341 -7.723 1.139 1.00 0.00 C ATOM 509 O PRO A 30 -10.488 -7.668 0.255 1.00 0.00 O ATOM 510 CB PRO A 30 -10.839 -8.519 3.502 1.00 0.00 C ATOM 511 CG PRO A 30 -9.427 -9.078 3.575 1.00 0.00 C ATOM 512 CD PRO A 30 -9.252 -10.055 2.424 1.00 0.00 C ATOM 0 HA PRO A 30 -12.412 -9.188 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.839 -7.438 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.467 -8.940 4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.694 -8.274 3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.264 -9.579 4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.398 -9.786 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.076 -11.067 2.787 1.00 0.00 H new ATOM 520 N SER A 31 -12.289 -6.816 1.325 1.00 0.00 N ATOM 521 CA SER A 31 -12.388 -5.650 0.463 1.00 0.00 C ATOM 522 C SER A 31 -11.810 -4.424 1.171 1.00 0.00 C ATOM 523 O SER A 31 -11.863 -4.328 2.397 1.00 0.00 O ATOM 524 CB SER A 31 -13.839 -5.391 0.053 1.00 0.00 C ATOM 525 OG SER A 31 -14.437 -6.535 -0.551 1.00 0.00 O ATOM 0 H SER A 31 -12.995 -6.865 2.060 1.00 0.00 H new ATOM 0 HA SER A 31 -11.811 -5.844 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.417 -5.101 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.875 -4.553 -0.644 1.00 0.00 H new ATOM 0 HG SER A 31 -15.363 -6.329 -0.797 1.00 0.00 H new ATOM 531 N ARG A 32 -11.269 -3.518 0.371 1.00 0.00 N ATOM 532 CA ARG A 32 -10.681 -2.302 0.906 1.00 0.00 C ATOM 533 C ARG A 32 -11.691 -1.567 1.790 1.00 0.00 C ATOM 534 O ARG A 32 -11.357 -1.132 2.890 1.00 0.00 O ATOM 535 CB ARG A 32 -10.225 -1.369 -0.218 1.00 0.00 C ATOM 536 CG ARG A 32 -8.884 -1.825 -0.799 1.00 0.00 C ATOM 537 CD ARG A 32 -9.063 -2.395 -2.207 1.00 0.00 C ATOM 538 NE ARG A 32 -8.126 -3.521 -2.420 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.874 -4.073 -3.614 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.488 -3.608 -4.711 1.00 0.00 N ATOM 541 NH2 ARG A 32 -7.008 -5.092 -3.713 1.00 0.00 N ATOM 0 H ARG A 32 -11.225 -3.602 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.813 -2.588 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.978 -1.347 -1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.133 -0.352 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.191 -0.984 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.441 -2.581 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.090 -2.735 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.884 -1.617 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.642 -3.900 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.147 -2.833 -4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.296 -4.029 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.541 -5.447 -2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.816 -5.512 -4.623 1.00 0.00 H new ATOM 555 N ASN A 33 -12.907 -1.453 1.274 1.00 0.00 N ATOM 556 CA ASN A 33 -13.968 -0.779 2.003 1.00 0.00 C ATOM 557 C ASN A 33 -14.245 -1.534 3.305 1.00 0.00 C ATOM 558 O ASN A 33 -14.608 -0.928 4.312 1.00 0.00 O ATOM 559 CB ASN A 33 -15.263 -0.750 1.188 1.00 0.00 C ATOM 560 CG ASN A 33 -15.505 -2.092 0.496 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.573 -3.139 1.119 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.631 -2.004 -0.825 1.00 0.00 N ATOM 0 H ASN A 33 -13.180 -1.816 0.361 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.645 0.243 2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.103 -0.517 1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.210 0.043 0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.795 -2.845 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.564 -1.096 -1.284 1.00 0.00 H new ATOM 569 N ASP A 34 -14.065 -2.845 3.242 1.00 0.00 N ATOM 570 CA ASP A 34 -14.291 -3.688 4.403 1.00 0.00 C ATOM 571 C ASP A 34 -13.154 -3.484 5.406 1.00 0.00 C ATOM 572 O ASP A 34 -13.393 -3.381 6.608 1.00 0.00 O ATOM 573 CB ASP A 34 -14.317 -5.167 4.013 1.00 0.00 C ATOM 574 CG ASP A 34 -15.707 -5.732 3.710 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.682 -4.976 3.909 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.762 -6.906 3.286 1.00 0.00 O ATOM 0 H ASP A 34 -13.765 -3.344 2.405 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.252 -3.412 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.685 -5.307 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.873 -5.748 4.821 1.00 0.00 H new ATOM 581 N VAL A 35 -11.941 -3.431 4.875 1.00 0.00 N ATOM 582 CA VAL A 35 -10.767 -3.241 5.708 1.00 0.00 C ATOM 583 C VAL A 35 -10.777 -1.822 6.281 1.00 0.00 C ATOM 584 O VAL A 35 -10.451 -1.618 7.449 1.00 0.00 O ATOM 585 CB VAL A 35 -9.501 -3.552 4.907 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.267 -2.933 5.568 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.325 -5.061 4.724 1.00 0.00 C ATOM 0 H VAL A 35 -11.747 -3.516 3.877 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.781 -3.932 6.551 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.612 -3.105 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.381 -3.169 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.388 -1.851 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.152 -3.337 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.418 -5.255 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.247 -5.539 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.185 -5.465 4.190 1.00 0.00 H new ATOM 597 N ARG A 36 -11.156 -0.878 5.432 1.00 0.00 N ATOM 598 CA ARG A 36 -11.214 0.515 5.839 1.00 0.00 C ATOM 599 C ARG A 36 -12.229 0.696 6.970 1.00 0.00 C ATOM 600 O ARG A 36 -11.941 1.354 7.968 1.00 0.00 O ATOM 601 CB ARG A 36 -11.602 1.417 4.666 1.00 0.00 C ATOM 602 CG ARG A 36 -10.452 2.355 4.292 1.00 0.00 C ATOM 603 CD ARG A 36 -10.982 3.707 3.811 1.00 0.00 C ATOM 604 NE ARG A 36 -10.263 4.127 2.587 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.689 5.088 1.757 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.834 5.735 2.014 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.971 5.403 0.670 1.00 0.00 N ATOM 0 H ARG A 36 -11.426 -1.051 4.464 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.221 0.799 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.871 0.805 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.483 2.003 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.802 2.501 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.846 1.899 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.051 3.637 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.854 4.456 4.593 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.388 3.655 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.380 5.496 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.159 6.467 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.099 4.911 0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.296 6.135 0.038 1.00 0.00 H new ATOM 621 N ASN A 37 -13.397 0.101 6.774 1.00 0.00 N ATOM 622 CA ASN A 37 -14.456 0.189 7.765 1.00 0.00 C ATOM 623 C ASN A 37 -13.981 -0.449 9.072 1.00 0.00 C ATOM 624 O ASN A 37 -14.412 -0.052 10.153 1.00 0.00 O ATOM 625 CB ASN A 37 -15.707 -0.561 7.301 1.00 0.00 C ATOM 626 CG ASN A 37 -16.756 0.410 6.754 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.015 1.464 7.311 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.344 -0.004 5.635 1.00 0.00 N ATOM 0 H ASN A 37 -13.633 -0.443 5.944 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.698 1.242 7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.438 -1.283 6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.127 -1.125 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.059 0.572 5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.080 -0.898 5.221 1.00 0.00 H new ATOM 635 N LYS A 38 -13.099 -1.428 8.929 1.00 0.00 N ATOM 636 CA LYS A 38 -12.560 -2.124 10.084 1.00 0.00 C ATOM 637 C LYS A 38 -11.621 -1.188 10.847 1.00 0.00 C ATOM 638 O LYS A 38 -11.773 -0.998 12.053 1.00 0.00 O ATOM 639 CB LYS A 38 -11.904 -3.440 9.660 1.00 0.00 C ATOM 640 CG LYS A 38 -12.010 -4.489 10.769 1.00 0.00 C ATOM 641 CD LYS A 38 -12.352 -5.864 10.192 1.00 0.00 C ATOM 642 CE LYS A 38 -12.919 -6.786 11.273 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.331 -6.446 11.555 1.00 0.00 N ATOM 0 H LYS A 38 -12.745 -1.755 8.030 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.362 -2.400 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.382 -3.814 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.855 -3.266 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.068 -4.544 11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.776 -4.190 11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.077 -5.754 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.459 -6.313 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.846 -7.824 10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.328 -6.695 12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.755 -7.189 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.375 -5.536 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.856 -6.374 10.660 1.00 0.00 H new ATOM 657 N LEU A 39 -10.672 -0.626 10.113 1.00 0.00 N ATOM 658 CA LEU A 39 -9.709 0.286 10.705 1.00 0.00 C ATOM 659 C LEU A 39 -10.442 1.519 11.239 1.00 0.00 C ATOM 660 O LEU A 39 -10.291 1.879 12.405 1.00 0.00 O ATOM 661 CB LEU A 39 -8.598 0.616 9.706 1.00 0.00 C ATOM 662 CG LEU A 39 -7.167 0.384 10.194 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.602 -0.923 9.633 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.274 1.582 9.865 1.00 0.00 C ATOM 0 H LEU A 39 -10.550 -0.785 9.113 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.213 -0.183 11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.756 0.019 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.697 1.662 9.416 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.188 0.287 11.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.584 -1.064 9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.222 -1.758 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.597 -0.879 8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.262 1.391 10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.254 1.736 8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.668 2.474 10.351 1.00 0.00 H new ATOM 676 N ALA A 40 -11.220 2.132 10.359 1.00 0.00 N ATOM 677 CA ALA A 40 -11.977 3.317 10.727 1.00 0.00 C ATOM 678 C ALA A 40 -12.721 3.055 12.038 1.00 0.00 C ATOM 679 O ALA A 40 -12.856 3.951 12.869 1.00 0.00 O ATOM 680 CB ALA A 40 -12.923 3.694 9.585 1.00 0.00 C ATOM 0 H ALA A 40 -11.343 1.831 9.392 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.310 4.163 10.890 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.491 4.583 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.343 3.899 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.610 2.869 9.394 1.00 0.00 H new ATOM 686 N ALA A 41 -13.185 1.822 12.182 1.00 0.00 N ATOM 687 CA ALA A 41 -13.912 1.430 13.377 1.00 0.00 C ATOM 688 C ALA A 41 -12.926 1.256 14.534 1.00 0.00 C ATOM 689 O ALA A 41 -13.235 1.599 15.674 1.00 0.00 O ATOM 690 CB ALA A 41 -14.710 0.156 13.095 1.00 0.00 C ATOM 0 H ALA A 41 -13.071 1.081 11.490 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.624 2.204 13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.255 -0.138 13.992 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.416 0.341 12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.028 -0.644 12.807 1.00 0.00 H new ATOM 696 N MET A 42 -11.760 0.723 14.201 1.00 0.00 N ATOM 697 CA MET A 42 -10.727 0.499 15.198 1.00 0.00 C ATOM 698 C MET A 42 -10.183 1.826 15.731 1.00 0.00 C ATOM 699 O MET A 42 -10.052 2.006 16.941 1.00 0.00 O ATOM 700 CB MET A 42 -9.585 -0.309 14.578 1.00 0.00 C ATOM 701 CG MET A 42 -9.953 -1.791 14.477 1.00 0.00 C ATOM 702 SD MET A 42 -8.732 -2.782 15.322 1.00 0.00 S ATOM 703 CE MET A 42 -7.742 -3.304 13.932 1.00 0.00 C ATOM 0 H MET A 42 -11.507 0.440 13.254 1.00 0.00 H new ATOM 0 HA MET A 42 -11.165 -0.053 16.030 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.356 0.081 13.586 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.685 -0.195 15.181 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.937 -1.960 14.914 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.014 -2.089 13.430 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.321 -4.289 14.134 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.365 -3.352 13.039 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.934 -2.590 13.772 1.00 0.00 H new ATOM 713 N LEU A 43 -9.880 2.721 14.802 1.00 0.00 N ATOM 714 CA LEU A 43 -9.353 4.025 15.164 1.00 0.00 C ATOM 715 C LEU A 43 -10.515 4.995 15.389 1.00 0.00 C ATOM 716 O LEU A 43 -10.300 6.187 15.606 1.00 0.00 O ATOM 717 CB LEU A 43 -8.345 4.505 14.117 1.00 0.00 C ATOM 718 CG LEU A 43 -7.711 3.417 13.248 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.534 3.974 12.445 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.307 2.207 14.093 1.00 0.00 C ATOM 0 H LEU A 43 -9.990 2.568 13.799 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.800 3.966 16.102 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.844 5.220 13.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.548 5.044 14.629 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.457 3.074 12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.101 3.180 11.836 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.883 4.779 11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.778 4.360 13.128 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.859 1.448 13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.585 2.516 14.849 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.189 1.794 14.582 1.00 0.00 H new ATOM 732 N ASN A 44 -11.720 4.448 15.330 1.00 0.00 N ATOM 733 CA ASN A 44 -12.916 5.250 15.525 1.00 0.00 C ATOM 734 C ASN A 44 -12.786 6.553 14.732 1.00 0.00 C ATOM 735 O ASN A 44 -13.203 7.612 15.199 1.00 0.00 O ATOM 736 CB ASN A 44 -13.102 5.611 17.000 1.00 0.00 C ATOM 737 CG ASN A 44 -12.891 4.389 17.895 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.826 3.739 18.333 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.613 4.113 18.141 1.00 0.00 N ATOM 0 H ASN A 44 -11.894 3.459 15.150 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.772 4.667 15.185 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.398 6.395 17.278 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.103 6.012 17.156 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.367 3.316 18.728 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.879 4.699 17.743 1.00 0.00 H new ATOM 746 N ALA A 45 -12.207 6.431 13.547 1.00 0.00 N ATOM 747 CA ALA A 45 -12.018 7.585 12.685 1.00 0.00 C ATOM 748 C ALA A 45 -12.945 7.469 11.473 1.00 0.00 C ATOM 749 O ALA A 45 -13.501 6.404 11.212 1.00 0.00 O ATOM 750 CB ALA A 45 -10.545 7.687 12.284 1.00 0.00 C ATOM 0 H ALA A 45 -11.863 5.551 13.163 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.277 8.503 13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.403 8.553 11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.931 7.797 13.178 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.250 6.783 11.751 1.00 0.00 H new ATOM 756 N PRO A 46 -13.087 8.610 10.747 1.00 0.00 N ATOM 757 CA PRO A 46 -13.937 8.647 9.569 1.00 0.00 C ATOM 758 C PRO A 46 -13.270 7.937 8.389 1.00 0.00 C ATOM 759 O PRO A 46 -12.049 7.981 8.244 1.00 0.00 O ATOM 760 CB PRO A 46 -14.187 10.124 9.310 1.00 0.00 C ATOM 761 CG PRO A 46 -13.098 10.869 10.064 1.00 0.00 C ATOM 762 CD PRO A 46 -12.444 9.891 11.026 1.00 0.00 C ATOM 0 HA PRO A 46 -14.879 8.117 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.146 10.346 8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.176 10.420 9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.361 11.272 9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.520 11.714 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.367 9.837 10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.596 10.193 12.062 1.00 0.00 H new ATOM 770 N LEU A 47 -14.100 7.301 7.577 1.00 0.00 N ATOM 771 CA LEU A 47 -13.606 6.583 6.414 1.00 0.00 C ATOM 772 C LEU A 47 -13.113 7.588 5.371 1.00 0.00 C ATOM 773 O LEU A 47 -11.998 7.465 4.865 1.00 0.00 O ATOM 774 CB LEU A 47 -14.673 5.621 5.885 1.00 0.00 C ATOM 775 CG LEU A 47 -14.175 4.242 5.448 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.517 3.179 6.494 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.714 3.878 4.063 1.00 0.00 C ATOM 0 H LEU A 47 -15.112 7.267 7.701 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.754 5.960 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.427 5.484 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.170 6.092 5.037 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.088 4.280 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.152 2.208 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.045 3.437 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.598 3.134 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.345 2.893 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.804 3.864 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.378 4.617 3.336 1.00 0.00 H new ATOM 789 N GLU A 48 -13.966 8.559 5.082 1.00 0.00 N ATOM 790 CA GLU A 48 -13.630 9.585 4.109 1.00 0.00 C ATOM 791 C GLU A 48 -12.209 10.099 4.349 1.00 0.00 C ATOM 792 O GLU A 48 -11.473 10.364 3.400 1.00 0.00 O ATOM 793 CB GLU A 48 -14.642 10.731 4.149 1.00 0.00 C ATOM 794 CG GLU A 48 -14.871 11.210 5.584 1.00 0.00 C ATOM 795 CD GLU A 48 -16.352 11.503 5.835 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.810 12.563 5.358 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.992 10.659 6.499 1.00 0.00 O ATOM 0 H GLU A 48 -14.889 8.657 5.504 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.672 9.142 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.283 11.559 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.587 10.402 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.523 10.451 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.282 12.108 5.770 1.00 0.00 H new ATOM 804 N LEU A 49 -11.867 10.225 5.622 1.00 0.00 N ATOM 805 CA LEU A 49 -10.547 10.703 5.999 1.00 0.00 C ATOM 806 C LEU A 49 -9.547 9.548 5.912 1.00 0.00 C ATOM 807 O LEU A 49 -8.366 9.764 5.647 1.00 0.00 O ATOM 808 CB LEU A 49 -10.593 11.376 7.372 1.00 0.00 C ATOM 809 CG LEU A 49 -11.544 12.567 7.505 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.304 13.316 8.817 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.438 13.491 6.290 1.00 0.00 C ATOM 0 H LEU A 49 -12.481 10.005 6.406 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.207 11.472 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.875 10.627 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.587 11.710 7.624 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.565 12.187 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.993 14.158 8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.470 12.641 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.278 13.683 8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.124 14.329 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.418 13.866 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.696 12.937 5.388 1.00 0.00 H new ATOM 823 N LEU A 50 -10.058 8.347 6.141 1.00 0.00 N ATOM 824 CA LEU A 50 -9.224 7.158 6.092 1.00 0.00 C ATOM 825 C LEU A 50 -9.070 6.708 4.637 1.00 0.00 C ATOM 826 O LEU A 50 -10.061 6.479 3.946 1.00 0.00 O ATOM 827 CB LEU A 50 -9.783 6.074 7.015 1.00 0.00 C ATOM 828 CG LEU A 50 -8.751 5.278 7.816 1.00 0.00 C ATOM 829 CD1 LEU A 50 -8.782 5.672 9.294 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.947 3.773 7.620 1.00 0.00 C ATOM 0 H LEU A 50 -11.039 8.172 6.361 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.224 7.378 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.475 6.542 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.364 5.375 6.412 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.759 5.526 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.039 5.092 9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.557 6.734 9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.772 5.472 9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.201 3.230 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.944 3.489 7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.836 3.526 6.564 1.00 0.00 H new ATOM 842 N VAL A 51 -7.819 6.595 4.216 1.00 0.00 N ATOM 843 CA VAL A 51 -7.522 6.176 2.857 1.00 0.00 C ATOM 844 C VAL A 51 -6.536 5.007 2.891 1.00 0.00 C ATOM 845 O VAL A 51 -5.844 4.804 3.888 1.00 0.00 O ATOM 846 CB VAL A 51 -7.010 7.366 2.043 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.156 7.108 0.542 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.725 8.657 2.449 1.00 0.00 C ATOM 0 H VAL A 51 -6.999 6.786 4.792 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.426 5.824 2.360 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.949 7.488 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.785 7.969 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.581 6.224 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.207 6.947 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.342 9.487 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.796 8.550 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.547 8.855 3.506 1.00 0.00 H new ATOM 858 N ILE A 52 -6.504 4.269 1.791 1.00 0.00 N ATOM 859 CA ILE A 52 -5.614 3.126 1.684 1.00 0.00 C ATOM 860 C ILE A 52 -4.641 3.350 0.524 1.00 0.00 C ATOM 861 O ILE A 52 -5.058 3.670 -0.588 1.00 0.00 O ATOM 862 CB ILE A 52 -6.418 1.829 1.569 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.463 1.733 2.683 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.494 0.611 1.543 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.887 1.034 3.916 1.00 0.00 C ATOM 0 H ILE A 52 -7.080 4.440 0.967 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.015 3.024 2.589 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.957 1.843 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.804 2.732 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.334 1.185 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.091 -0.297 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.822 0.682 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.909 0.578 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.650 0.979 4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.569 0.027 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.031 1.598 4.287 1.00 0.00 H new ATOM 877 N GLN A 53 -3.362 3.173 0.824 1.00 0.00 N ATOM 878 CA GLN A 53 -2.327 3.352 -0.179 1.00 0.00 C ATOM 879 C GLN A 53 -2.370 2.209 -1.196 1.00 0.00 C ATOM 880 O GLN A 53 -2.671 2.429 -2.369 1.00 0.00 O ATOM 881 CB GLN A 53 -0.945 3.455 0.471 1.00 0.00 C ATOM 882 CG GLN A 53 0.156 3.515 -0.589 1.00 0.00 C ATOM 883 CD GLN A 53 1.534 3.298 0.040 1.00 0.00 C ATOM 884 OE1 GLN A 53 2.156 2.258 -0.107 1.00 0.00 O ATOM 885 NE2 GLN A 53 1.976 4.334 0.747 1.00 0.00 N ATOM 0 H GLN A 53 -3.020 2.908 1.747 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.516 4.288 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.900 4.345 1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.781 2.597 1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.024 2.755 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.130 4.482 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.405 5.175 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.886 4.287 1.206 1.00 0.00 H new ATOM 894 N ARG A 54 -2.065 1.015 -0.711 1.00 0.00 N ATOM 895 CA ARG A 54 -2.065 -0.162 -1.563 1.00 0.00 C ATOM 896 C ARG A 54 -1.907 -1.428 -0.719 1.00 0.00 C ATOM 897 O ARG A 54 -0.984 -1.530 0.088 1.00 0.00 O ATOM 898 CB ARG A 54 -0.934 -0.098 -2.591 1.00 0.00 C ATOM 899 CG ARG A 54 -1.427 -0.523 -3.976 1.00 0.00 C ATOM 900 CD ARG A 54 -1.090 0.537 -5.027 1.00 0.00 C ATOM 901 NE ARG A 54 -1.529 0.080 -6.364 1.00 0.00 N ATOM 902 CZ ARG A 54 -2.791 0.158 -6.808 1.00 0.00 C ATOM 903 NH1 ARG A 54 -3.747 0.673 -6.023 1.00 0.00 N ATOM 904 NH2 ARG A 54 -3.098 -0.281 -8.036 1.00 0.00 N ATOM 0 H ARG A 54 -1.816 0.837 0.262 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.019 -0.189 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.537 0.916 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.116 -0.746 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.970 -1.473 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.505 -0.684 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.579 1.478 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.017 0.727 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.827 -0.320 -6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.514 1.006 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.707 0.732 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.371 -0.675 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.059 -0.221 -8.374 1.00 0.00 H new ATOM 918 N ILE A 55 -2.822 -2.362 -0.934 1.00 0.00 N ATOM 919 CA ILE A 55 -2.795 -3.618 -0.203 1.00 0.00 C ATOM 920 C ILE A 55 -1.997 -4.651 -1.002 1.00 0.00 C ATOM 921 O ILE A 55 -2.068 -4.681 -2.230 1.00 0.00 O ATOM 922 CB ILE A 55 -4.217 -4.069 0.138 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.752 -3.319 1.360 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.281 -5.586 0.325 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.218 -3.669 1.620 1.00 0.00 C ATOM 0 H ILE A 55 -3.586 -2.274 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.287 -3.492 0.753 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.865 -3.820 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.154 -3.570 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.653 -2.245 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.302 -5.880 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.969 -6.080 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.617 -5.881 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.573 -3.122 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.817 -3.394 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.310 -4.740 1.800 1.00 0.00 H new ATOM 937 N LYS A 56 -1.257 -5.473 -0.272 1.00 0.00 N ATOM 938 CA LYS A 56 -0.447 -6.504 -0.897 1.00 0.00 C ATOM 939 C LYS A 56 -0.809 -7.864 -0.297 1.00 0.00 C ATOM 940 O LYS A 56 -0.578 -8.106 0.886 1.00 0.00 O ATOM 941 CB LYS A 56 1.040 -6.159 -0.785 1.00 0.00 C ATOM 942 CG LYS A 56 1.811 -6.653 -2.011 1.00 0.00 C ATOM 943 CD LYS A 56 2.508 -5.492 -2.724 1.00 0.00 C ATOM 944 CE LYS A 56 3.947 -5.859 -3.090 1.00 0.00 C ATOM 945 NZ LYS A 56 4.901 -4.945 -2.423 1.00 0.00 N ATOM 0 H LYS A 56 -1.202 -5.446 0.746 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.658 -6.559 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.160 -5.080 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.455 -6.610 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.550 -7.394 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.127 -7.150 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.955 -5.230 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.506 -4.612 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.153 -6.888 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.078 -5.806 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.873 -5.208 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.715 -3.968 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.787 -5.016 -1.392 1.00 0.00 H new ATOM 959 N THR A 57 -1.371 -8.717 -1.142 1.00 0.00 N ATOM 960 CA THR A 57 -1.768 -10.046 -0.710 1.00 0.00 C ATOM 961 C THR A 57 -0.572 -11.000 -0.752 1.00 0.00 C ATOM 962 O THR A 57 0.154 -11.046 -1.744 1.00 0.00 O ATOM 963 CB THR A 57 -2.938 -10.499 -1.586 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.735 -9.327 -1.733 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.858 -11.488 -0.869 1.00 0.00 C ATOM 0 H THR A 57 -1.561 -8.513 -2.123 1.00 0.00 H new ATOM 0 HA THR A 57 -2.103 -10.041 0.327 1.00 0.00 H new ATOM 0 HB THR A 57 -2.553 -10.957 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.516 -9.530 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.671 -11.777 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.289 -12.374 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.270 -11.019 0.025 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.547 -13.643 4.049 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.438 -12.391 4.778 1.00 0.00 C ATOM 1052 C GLU A 63 -2.165 -11.236 3.812 1.00 0.00 C ATOM 1053 O GLU A 63 -1.292 -11.336 2.951 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.352 -12.475 5.853 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.049 -11.093 6.435 1.00 0.00 C ATOM 1056 CD GLU A 63 0.287 -10.559 5.914 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.326 -11.066 6.391 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.240 -9.657 5.051 1.00 0.00 O ATOM 0 HA GLU A 63 -3.387 -12.202 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.674 -13.146 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.444 -12.901 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.849 -10.401 6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.022 -11.151 7.523 1.00 0.00 H new ATOM 1065 N SER A 64 -2.928 -10.167 3.987 1.00 0.00 N ATOM 1066 CA SER A 64 -2.779 -8.995 3.141 1.00 0.00 C ATOM 1067 C SER A 64 -2.396 -7.782 3.991 1.00 0.00 C ATOM 1068 O SER A 64 -2.983 -7.548 5.046 1.00 0.00 O ATOM 1069 CB SER A 64 -4.064 -8.712 2.361 1.00 0.00 C ATOM 1070 OG SER A 64 -4.579 -9.885 1.736 1.00 0.00 O ATOM 0 H SER A 64 -3.651 -10.088 4.702 1.00 0.00 H new ATOM 0 HA SER A 64 -1.985 -9.192 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.815 -8.302 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.868 -7.954 1.603 1.00 0.00 H new ATOM 0 HG SER A 64 -5.400 -9.663 1.250 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.413 -7.042 3.499 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.945 -5.859 4.200 1.00 0.00 C ATOM 1078 C LYS A 65 -1.129 -4.633 3.303 1.00 0.00 C ATOM 1079 O LYS A 65 -0.948 -4.715 2.089 1.00 0.00 O ATOM 1080 CB LYS A 65 0.494 -6.056 4.683 1.00 0.00 C ATOM 1081 CG LYS A 65 1.494 -5.503 3.666 1.00 0.00 C ATOM 1082 CD LYS A 65 2.929 -5.641 4.179 1.00 0.00 C ATOM 1083 CE LYS A 65 3.394 -7.098 4.124 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.526 -7.547 2.721 1.00 0.00 N ATOM 0 H LYS A 65 -0.928 -7.239 2.624 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.539 -5.690 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.631 -5.556 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.685 -7.117 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.389 -6.035 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.274 -4.454 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.595 -5.020 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.989 -5.275 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.351 -7.200 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.681 -7.733 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.131 -8.392 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.586 -7.776 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.954 -6.789 2.153 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.487 -3.525 3.935 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.698 -2.284 3.209 1.00 0.00 C ATOM 1100 C GLY A 66 -1.637 -1.080 4.152 1.00 0.00 C ATOM 1101 O GLY A 66 -2.148 -1.135 5.269 1.00 0.00 O ATOM 0 H GLY A 66 -1.636 -3.461 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.941 -2.180 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.667 -2.311 2.710 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.006 -0.021 3.666 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.871 1.194 4.451 1.00 0.00 C ATOM 1107 C TYR A 67 -2.076 2.115 4.247 1.00 0.00 C ATOM 1108 O TYR A 67 -2.530 2.309 3.121 1.00 0.00 O ATOM 1109 CB TYR A 67 0.386 1.895 3.931 1.00 0.00 C ATOM 1110 CG TYR A 67 1.404 2.237 5.020 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.002 2.919 6.151 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.724 1.863 4.873 1.00 0.00 C ATOM 1113 CE1 TYR A 67 1.961 3.241 7.176 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.683 2.185 5.898 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.254 2.858 6.999 1.00 0.00 C ATOM 1116 OH TYR A 67 4.159 3.162 7.968 1.00 0.00 O ATOM 0 H TYR A 67 -0.583 0.021 2.739 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.809 0.960 5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.865 1.257 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.093 2.813 3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.031 3.211 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.038 1.328 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.660 3.775 8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.719 1.899 5.795 1.00 0.00 H new ATOM 0 HH TYR A 67 4.455 2.338 8.409 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.558 2.659 5.355 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.701 3.555 5.312 1.00 0.00 C ATOM 1128 C ALA A 68 -3.257 4.961 5.720 1.00 0.00 C ATOM 1129 O ALA A 68 -2.248 5.123 6.405 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.812 3.010 6.213 1.00 0.00 C ATOM 0 H ALA A 68 -2.178 2.497 6.288 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.102 3.616 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.669 3.682 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.112 2.022 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.447 2.937 7.237 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.033 5.942 5.283 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.732 7.329 5.594 1.00 0.00 C ATOM 1138 C LYS A 69 -4.915 7.948 6.341 1.00 0.00 C ATOM 1139 O LYS A 69 -5.993 8.115 5.774 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.340 8.090 4.326 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.072 7.501 3.703 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.926 7.936 2.243 1.00 0.00 C ATOM 1143 CE LYS A 69 -3.078 7.398 1.393 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.795 8.509 0.728 1.00 0.00 N ATOM 0 H LYS A 69 -4.870 5.804 4.716 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.868 7.392 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.157 8.048 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.178 9.141 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.200 7.823 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.106 6.413 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.904 9.024 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.977 7.576 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.693 6.706 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.769 6.836 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.574 8.126 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.179 9.154 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.136 9.029 0.113 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.673 8.271 7.603 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.705 8.868 8.434 1.00 0.00 C ATOM 1160 C LEU A 70 -5.490 10.382 8.498 1.00 0.00 C ATOM 1161 O LEU A 70 -4.407 10.844 8.853 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.744 8.194 9.807 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.545 8.921 10.889 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.928 9.322 10.371 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.632 8.081 12.165 1.00 0.00 C ATOM 0 H LEU A 70 -3.777 8.131 8.070 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.689 8.704 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.159 7.193 9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.720 8.074 10.160 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.018 9.840 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.477 9.837 11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.817 9.986 9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.477 8.429 10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.206 8.621 12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.124 7.134 11.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.628 7.889 12.544 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.540 11.111 8.149 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.480 12.563 8.162 1.00 0.00 C ATOM 1179 C TYR A 71 -7.408 13.140 9.233 1.00 0.00 C ATOM 1180 O TYR A 71 -8.374 12.495 9.636 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.966 13.018 6.785 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.975 12.740 5.653 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.787 11.449 5.201 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.269 13.780 5.083 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.854 11.188 4.136 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.336 13.518 4.017 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.175 12.235 3.596 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.294 11.988 2.590 1.00 0.00 O ATOM 0 H TYR A 71 -7.437 10.724 7.856 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.468 12.903 8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.908 12.518 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.173 14.088 6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.340 10.635 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.416 14.790 5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.697 10.183 3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.777 14.323 3.562 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.883 12.829 2.301 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.081 14.350 9.665 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.873 15.021 10.681 1.00 0.00 C ATOM 1200 C GLU A 72 -9.034 15.779 10.034 1.00 0.00 C ATOM 1201 O GLU A 72 -10.033 16.068 10.691 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.005 15.960 11.521 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.355 15.211 12.686 1.00 0.00 C ATOM 1204 CD GLU A 72 -7.137 15.430 13.982 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -7.157 16.591 14.445 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -7.697 14.430 14.482 1.00 0.00 O ATOM 0 H GLU A 72 -6.278 14.882 9.329 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.286 14.266 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.232 16.405 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.614 16.778 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.311 14.146 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.328 15.552 12.815 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.863 16.080 8.755 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.884 16.799 8.013 1.00 0.00 C ATOM 1215 C ASP A 73 -9.867 16.338 6.554 1.00 0.00 C ATOM 1216 O ASP A 73 -8.856 15.830 6.071 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.623 18.306 8.036 1.00 0.00 C ATOM 1218 CG ASP A 73 -9.861 18.983 9.387 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -8.940 18.908 10.229 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -10.958 19.560 9.548 1.00 0.00 O ATOM 0 H ASP A 73 -8.033 15.839 8.214 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.848 16.593 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.591 18.485 7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.261 18.781 7.291 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.999 16.531 5.893 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.127 16.142 4.499 1.00 0.00 C ATOM 1227 C ALA A 74 -10.544 17.243 3.610 1.00 0.00 C ATOM 1228 O ALA A 74 -9.921 16.956 2.590 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.596 15.854 4.182 1.00 0.00 C ATOM 0 H ALA A 74 -11.836 16.952 6.297 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.566 15.229 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.692 15.562 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.954 15.045 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.190 16.749 4.365 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.768 18.479 4.031 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.272 19.624 3.287 1.00 0.00 C ATOM 1237 C ASP A 75 -8.761 19.486 3.093 1.00 0.00 C ATOM 1238 O ASP A 75 -8.256 19.652 1.984 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.535 20.928 4.043 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.021 22.091 3.177 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.432 22.275 2.090 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.971 22.772 3.621 1.00 0.00 O ATOM 0 H ASP A 75 -11.286 18.713 4.878 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.789 19.652 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.277 20.737 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.617 21.229 4.547 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.081 19.184 4.189 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.638 19.021 4.154 1.00 0.00 C ATOM 1249 C ARG A 76 -6.246 17.984 3.099 1.00 0.00 C ATOM 1250 O ARG A 76 -5.386 18.243 2.259 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.099 18.581 5.516 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.475 19.760 6.266 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.455 20.931 6.359 1.00 0.00 C ATOM 1254 NE ARG A 76 -7.011 21.019 7.728 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.268 21.186 8.831 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -4.936 21.285 8.732 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -6.858 21.255 10.032 1.00 0.00 N ATOM 0 H ARG A 76 -8.503 19.048 5.107 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.202 19.987 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.907 18.154 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.354 17.797 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.183 19.445 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.567 20.081 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.948 21.861 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.262 20.799 5.638 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.022 20.948 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.487 21.233 7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.370 21.412 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.873 21.180 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.293 21.382 10.871 1.00 0.00 H new ATOM 1271 N MET A 77 -6.896 16.833 3.178 1.00 0.00 N ATOM 1272 CA MET A 77 -6.627 15.755 2.240 1.00 0.00 C ATOM 1273 C MET A 77 -6.693 16.256 0.796 1.00 0.00 C ATOM 1274 O MET A 77 -5.919 15.817 -0.053 1.00 0.00 O ATOM 1275 CB MET A 77 -7.650 14.636 2.441 1.00 0.00 C ATOM 1276 CG MET A 77 -7.616 13.647 1.274 1.00 0.00 C ATOM 1277 SD MET A 77 -8.426 12.126 1.740 1.00 0.00 S ATOM 1278 CE MET A 77 -10.104 12.708 1.915 1.00 0.00 C ATOM 0 H MET A 77 -7.609 16.622 3.877 1.00 0.00 H new ATOM 0 HA MET A 77 -5.622 15.377 2.428 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.442 14.111 3.373 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.649 15.063 2.532 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.110 14.080 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.584 13.446 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.791 11.965 1.509 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.325 12.869 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.222 13.646 1.373 1.00 0.00 H new