USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 Single : A 1 MET CE :methyl 162:sc= -0.0976 (180deg=-0.462) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0145 (180deg=-0.215) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.11) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000388 USER MOD Single : A 17 HIS : no HD1:sc= -8.68! C(o=-8.6!,f=-8.2!) USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -66:sc= 0.611 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 35 SER OG : rot -4:sc= 1.15 USER MOD Single : A 42 GLN : amide:sc=-0.00732 K(o=-0.0073,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= 0.0286 USER MOD Single : A 51 SER OG : rot -29:sc= 0.199 USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= -2.2! (180deg=-3.98!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 76:sc= 1.25 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0622 (180deg=-0.357) USER MOD Single : A 76 ASN : amide:sc= 0.444 K(o=0.44,f=-1.6) USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00456 USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 0.744 (180deg=0.725) USER MOD Single : A 89 MET CE :methyl -165:sc= -0.0982 (180deg=-0.54) USER MOD Single : A 91 LYS NZ :NH3+ -134:sc= -1.73 (180deg=-4.38!) USER MOD Single : A 92 ASN : amide:sc= -0.713 X(o=-0.71,f=-1) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.241 -18.907 9.861 1.00 0.00 N ATOM 2 CA MET A 1 8.237 -18.117 8.610 1.00 0.00 C ATOM 3 C MET A 1 6.807 -17.778 8.191 1.00 0.00 C ATOM 4 O MET A 1 6.160 -18.538 7.471 1.00 0.00 O ATOM 5 CB MET A 1 8.946 -18.882 7.485 1.00 0.00 C ATOM 6 CG MET A 1 10.419 -19.144 7.760 1.00 0.00 C ATOM 7 SD MET A 1 11.227 -20.080 6.443 1.00 0.00 S ATOM 8 CE MET A 1 11.074 -18.947 5.064 1.00 0.00 C ATOM 0 H1 MET A 1 9.206 -18.940 10.248 1.00 0.00 H new ATOM 0 H2 MET A 1 7.605 -18.463 10.554 1.00 0.00 H new ATOM 0 H3 MET A 1 7.914 -19.874 9.662 1.00 0.00 H new ATOM 0 HA MET A 1 8.776 -17.188 8.796 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.439 -19.834 7.329 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.853 -18.316 6.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.934 -18.192 7.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.516 -19.690 8.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.784 -19.225 4.285 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.061 -18.994 4.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.285 -17.932 5.402 1.00 0.00 H new ATOM 18 N PRO A 2 6.297 -16.619 8.638 1.00 0.00 N ATOM 19 CA PRO A 2 4.923 -16.188 8.365 1.00 0.00 C ATOM 20 C PRO A 2 4.786 -15.448 7.034 1.00 0.00 C ATOM 21 O PRO A 2 3.992 -14.513 6.908 1.00 0.00 O ATOM 22 CB PRO A 2 4.645 -15.245 9.531 1.00 0.00 C ATOM 23 CG PRO A 2 5.965 -14.615 9.829 1.00 0.00 C ATOM 24 CD PRO A 2 7.021 -15.630 9.462 1.00 0.00 C ATOM 0 HA PRO A 2 4.232 -17.027 8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.899 -14.496 9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.260 -15.786 10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.094 -13.697 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.036 -14.345 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.839 -15.171 8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.456 -16.091 10.349 1.00 0.00 H new ATOM 32 N TYR A 3 5.545 -15.888 6.040 1.00 0.00 N ATOM 33 CA TYR A 3 5.546 -15.245 4.732 1.00 0.00 C ATOM 34 C TYR A 3 4.343 -15.687 3.912 1.00 0.00 C ATOM 35 O TYR A 3 4.014 -16.874 3.870 1.00 0.00 O ATOM 36 CB TYR A 3 6.837 -15.571 3.976 1.00 0.00 C ATOM 37 CG TYR A 3 8.084 -15.085 4.675 1.00 0.00 C ATOM 38 CD1 TYR A 3 8.592 -13.820 4.423 1.00 0.00 C ATOM 39 CD2 TYR A 3 8.750 -15.890 5.589 1.00 0.00 C ATOM 40 CE1 TYR A 3 9.726 -13.370 5.064 1.00 0.00 C ATOM 41 CE2 TYR A 3 9.885 -15.445 6.232 1.00 0.00 C ATOM 42 CZ TYR A 3 10.367 -14.185 5.964 1.00 0.00 C ATOM 43 OH TYR A 3 11.496 -13.738 6.604 1.00 0.00 O ATOM 0 H TYR A 3 6.170 -16.690 6.114 1.00 0.00 H new ATOM 0 HA TYR A 3 5.487 -14.168 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.905 -16.650 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.790 -15.125 2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.092 -13.177 3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.373 -16.880 5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.109 -12.381 4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.393 -16.082 6.942 1.00 0.00 H new ATOM 0 HH TYR A 3 11.827 -14.435 7.209 1.00 0.00 H new ATOM 53 N LYS A 4 3.695 -14.734 3.259 1.00 0.00 N ATOM 54 CA LYS A 4 2.535 -15.029 2.433 1.00 0.00 C ATOM 55 C LYS A 4 2.973 -15.362 1.010 1.00 0.00 C ATOM 56 O LYS A 4 3.160 -14.467 0.185 1.00 0.00 O ATOM 57 CB LYS A 4 1.566 -13.841 2.430 1.00 0.00 C ATOM 58 CG LYS A 4 0.243 -14.110 1.724 1.00 0.00 C ATOM 59 CD LYS A 4 -0.713 -12.929 1.855 1.00 0.00 C ATOM 60 CE LYS A 4 -0.239 -11.715 1.064 1.00 0.00 C ATOM 61 NZ LYS A 4 -0.437 -11.884 -0.401 1.00 0.00 N ATOM 0 H LYS A 4 3.954 -13.748 3.286 1.00 0.00 H new ATOM 0 HA LYS A 4 2.020 -15.894 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.362 -13.552 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.053 -12.992 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.428 -14.314 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.220 -15.002 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.703 -13.224 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.813 -12.659 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.779 -10.830 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.817 -11.541 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.009 -11.081 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.014 -12.768 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.455 -11.922 -0.612 1.00 0.00 H new ATOM 75 N ALA A 5 3.162 -16.648 0.739 1.00 0.00 N ATOM 76 CA ALA A 5 3.627 -17.103 -0.566 1.00 0.00 C ATOM 77 C ALA A 5 2.481 -17.139 -1.578 1.00 0.00 C ATOM 78 O ALA A 5 1.505 -17.870 -1.402 1.00 0.00 O ATOM 79 CB ALA A 5 4.279 -18.472 -0.446 1.00 0.00 C ATOM 0 H ALA A 5 2.999 -17.398 1.410 1.00 0.00 H new ATOM 0 HA ALA A 5 4.370 -16.393 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.621 -18.799 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.129 -18.412 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.554 -19.187 -0.057 1.00 0.00 H new ATOM 85 N PRO A 6 2.582 -16.329 -2.641 1.00 0.00 N ATOM 86 CA PRO A 6 1.582 -16.265 -3.699 1.00 0.00 C ATOM 87 C PRO A 6 1.886 -17.220 -4.850 1.00 0.00 C ATOM 88 O PRO A 6 2.899 -17.924 -4.840 1.00 0.00 O ATOM 89 CB PRO A 6 1.708 -14.822 -4.166 1.00 0.00 C ATOM 90 CG PRO A 6 3.158 -14.504 -4.001 1.00 0.00 C ATOM 91 CD PRO A 6 3.684 -15.384 -2.890 1.00 0.00 C ATOM 0 HA PRO A 6 0.588 -16.551 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.392 -14.711 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.085 -14.155 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.701 -14.689 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.296 -13.451 -3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.596 -15.902 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.923 -14.804 -1.999 1.00 0.00 H new ATOM 99 N GLU A 7 1.009 -17.239 -5.841 1.00 0.00 N ATOM 100 CA GLU A 7 1.228 -18.044 -7.030 1.00 0.00 C ATOM 101 C GLU A 7 1.913 -17.203 -8.104 1.00 0.00 C ATOM 102 O GLU A 7 3.143 -17.136 -8.159 1.00 0.00 O ATOM 103 CB GLU A 7 -0.090 -18.620 -7.568 1.00 0.00 C ATOM 104 CG GLU A 7 -0.932 -19.357 -6.534 1.00 0.00 C ATOM 105 CD GLU A 7 -1.744 -18.419 -5.661 1.00 0.00 C ATOM 106 OE1 GLU A 7 -2.759 -17.883 -6.147 1.00 0.00 O ATOM 107 OE2 GLU A 7 -1.367 -18.199 -4.491 1.00 0.00 O ATOM 0 H GLU A 7 0.139 -16.706 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 7 1.871 -18.882 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.683 -17.806 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.135 -19.303 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.606 -20.045 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.279 -19.959 -5.903 1.00 0.00 H new ATOM 114 N GLY A 8 1.113 -16.539 -8.931 1.00 0.00 N ATOM 115 CA GLY A 8 1.645 -15.663 -9.953 1.00 0.00 C ATOM 116 C GLY A 8 1.047 -14.280 -9.848 1.00 0.00 C ATOM 117 O GLY A 8 -0.087 -14.048 -10.267 1.00 0.00 O ATOM 0 H GLY A 8 0.095 -16.595 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.729 -15.602 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.436 -16.079 -10.938 1.00 0.00 H new ATOM 121 N LYS A 9 1.802 -13.363 -9.271 1.00 0.00 N ATOM 122 CA LYS A 9 1.300 -12.027 -8.991 1.00 0.00 C ATOM 123 C LYS A 9 2.180 -10.969 -9.643 1.00 0.00 C ATOM 124 O LYS A 9 3.380 -11.179 -9.849 1.00 0.00 O ATOM 125 CB LYS A 9 1.224 -11.780 -7.467 1.00 0.00 C ATOM 126 CG LYS A 9 2.567 -11.479 -6.792 1.00 0.00 C ATOM 127 CD LYS A 9 3.583 -12.586 -7.016 1.00 0.00 C ATOM 128 CE LYS A 9 4.921 -12.280 -6.359 1.00 0.00 C ATOM 129 NZ LYS A 9 5.922 -13.344 -6.632 1.00 0.00 N ATOM 0 H LYS A 9 2.769 -13.518 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 9 0.297 -11.953 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.547 -10.946 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.785 -12.658 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.964 -10.540 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.411 -11.342 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.191 -13.522 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.730 -12.730 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.296 -11.324 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.783 -12.177 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.821 -13.102 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.575 -14.251 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.072 -13.425 -7.658 1.00 0.00 H new ATOM 143 N GLY A 10 1.582 -9.843 -9.984 1.00 0.00 N ATOM 144 CA GLY A 10 2.354 -8.710 -10.406 1.00 0.00 C ATOM 145 C GLY A 10 2.435 -7.691 -9.296 1.00 0.00 C ATOM 146 O GLY A 10 2.434 -8.046 -8.116 1.00 0.00 O ATOM 0 H GLY A 10 0.572 -9.698 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.357 -9.030 -10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.901 -8.261 -11.289 1.00 0.00 H new ATOM 150 N TYR A 11 2.445 -6.432 -9.666 1.00 0.00 N ATOM 151 CA TYR A 11 2.519 -5.335 -8.708 1.00 0.00 C ATOM 152 C TYR A 11 1.145 -5.052 -8.093 1.00 0.00 C ATOM 153 O TYR A 11 0.896 -3.961 -7.586 1.00 0.00 O ATOM 154 CB TYR A 11 3.038 -4.083 -9.417 1.00 0.00 C ATOM 155 CG TYR A 11 2.129 -3.600 -10.527 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.870 -4.396 -11.637 1.00 0.00 C ATOM 157 CD2 TYR A 11 1.515 -2.357 -10.458 1.00 0.00 C ATOM 158 CE1 TYR A 11 1.031 -3.975 -12.640 1.00 0.00 C ATOM 159 CE2 TYR A 11 0.675 -1.924 -11.462 1.00 0.00 C ATOM 160 CZ TYR A 11 0.435 -2.738 -12.553 1.00 0.00 C ATOM 161 OH TYR A 11 -0.409 -2.314 -13.554 1.00 0.00 O ATOM 0 H TYR A 11 2.402 -6.131 -10.640 1.00 0.00 H new ATOM 0 HA TYR A 11 3.199 -5.616 -7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.161 -3.285 -8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.025 -4.291 -9.830 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.338 -5.366 -11.712 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.698 -1.720 -9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.840 -4.611 -13.492 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.207 -0.953 -11.396 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.747 -1.420 -13.340 1.00 0.00 H new ATOM 171 N ALA A 12 0.274 -6.048 -8.107 1.00 0.00 N ATOM 172 CA ALA A 12 -1.108 -5.852 -7.696 1.00 0.00 C ATOM 173 C ALA A 12 -1.287 -6.091 -6.205 1.00 0.00 C ATOM 174 O ALA A 12 -1.904 -5.288 -5.507 1.00 0.00 O ATOM 175 CB ALA A 12 -2.032 -6.761 -8.489 1.00 0.00 C ATOM 0 H ALA A 12 0.498 -6.999 -8.398 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.369 -4.814 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.062 -6.602 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.943 -6.533 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.755 -7.801 -8.316 1.00 0.00 H new ATOM 181 N ASP A 13 -0.721 -7.185 -5.715 1.00 0.00 N ATOM 182 CA ASP A 13 -0.902 -7.577 -4.323 1.00 0.00 C ATOM 183 C ASP A 13 -0.023 -6.730 -3.423 1.00 0.00 C ATOM 184 O ASP A 13 -0.341 -6.486 -2.263 1.00 0.00 O ATOM 185 CB ASP A 13 -0.561 -9.059 -4.149 1.00 0.00 C ATOM 186 CG ASP A 13 -0.822 -9.573 -2.744 1.00 0.00 C ATOM 187 OD1 ASP A 13 -1.993 -9.873 -2.425 1.00 0.00 O ATOM 188 OD2 ASP A 13 0.145 -9.735 -1.969 1.00 0.00 O ATOM 0 H ASP A 13 -0.133 -7.817 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.944 -7.419 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.146 -9.645 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.489 -9.215 -4.397 1.00 0.00 H new ATOM 193 N VAL A 14 1.068 -6.246 -3.990 1.00 0.00 N ATOM 194 CA VAL A 14 2.055 -5.521 -3.235 1.00 0.00 C ATOM 195 C VAL A 14 1.572 -4.102 -2.906 1.00 0.00 C ATOM 196 O VAL A 14 1.984 -3.511 -1.904 1.00 0.00 O ATOM 197 CB VAL A 14 3.388 -5.497 -4.004 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.277 -4.713 -5.295 1.00 0.00 C ATOM 199 CG2 VAL A 14 4.490 -4.956 -3.137 1.00 0.00 C ATOM 0 H VAL A 14 1.287 -6.347 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 14 2.213 -6.032 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 14 3.634 -6.525 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.238 -4.720 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.521 -5.170 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.991 -3.685 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.424 -4.947 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.244 -3.941 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.603 -5.587 -2.256 1.00 0.00 H new ATOM 209 N ALA A 15 0.678 -3.569 -3.737 1.00 0.00 N ATOM 210 CA ALA A 15 0.074 -2.266 -3.484 1.00 0.00 C ATOM 211 C ALA A 15 -0.749 -2.281 -2.198 1.00 0.00 C ATOM 212 O ALA A 15 -0.788 -1.292 -1.461 1.00 0.00 O ATOM 213 CB ALA A 15 -0.794 -1.852 -4.661 1.00 0.00 C ATOM 0 H ALA A 15 0.357 -4.022 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 15 0.876 -1.538 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.239 -0.878 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.182 -1.792 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.584 -2.589 -4.807 1.00 0.00 H new ATOM 219 N THR A 16 -1.385 -3.418 -1.923 1.00 0.00 N ATOM 220 CA THR A 16 -2.226 -3.573 -0.741 1.00 0.00 C ATOM 221 C THR A 16 -1.421 -3.351 0.541 1.00 0.00 C ATOM 222 O THR A 16 -1.968 -2.935 1.567 1.00 0.00 O ATOM 223 CB THR A 16 -2.867 -4.974 -0.702 1.00 0.00 C ATOM 224 OG1 THR A 16 -3.418 -5.289 -1.987 1.00 0.00 O ATOM 225 CG2 THR A 16 -3.964 -5.047 0.352 1.00 0.00 C ATOM 0 H THR A 16 -1.332 -4.251 -2.509 1.00 0.00 H new ATOM 0 HA THR A 16 -3.012 -2.820 -0.802 1.00 0.00 H new ATOM 0 HB THR A 16 -2.092 -5.696 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.823 -6.181 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.398 -6.047 0.357 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.541 -4.830 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.739 -4.316 0.122 1.00 0.00 H new ATOM 233 N HIS A 17 -0.117 -3.606 0.465 1.00 0.00 N ATOM 234 CA HIS A 17 0.768 -3.447 1.612 1.00 0.00 C ATOM 235 C HIS A 17 0.684 -2.031 2.173 1.00 0.00 C ATOM 236 O HIS A 17 0.522 -1.843 3.375 1.00 0.00 O ATOM 237 CB HIS A 17 2.213 -3.766 1.212 1.00 0.00 C ATOM 238 CG HIS A 17 3.193 -3.715 2.346 1.00 0.00 C ATOM 239 ND1 HIS A 17 4.072 -2.672 2.533 1.00 0.00 N ATOM 240 CD2 HIS A 17 3.440 -4.594 3.344 1.00 0.00 C ATOM 241 CE1 HIS A 17 4.820 -2.915 3.594 1.00 0.00 C ATOM 242 NE2 HIS A 17 4.459 -4.078 4.106 1.00 0.00 N ATOM 0 H HIS A 17 0.350 -3.925 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 17 0.448 -4.143 2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.243 -4.760 0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.529 -3.061 0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.929 -5.531 3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.597 -2.271 3.979 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.869 -4.519 4.930 1.00 0.00 H new ATOM 251 N PHE A 18 0.780 -1.044 1.297 1.00 0.00 N ATOM 252 CA PHE A 18 0.791 0.350 1.723 1.00 0.00 C ATOM 253 C PHE A 18 -0.621 0.879 1.941 1.00 0.00 C ATOM 254 O PHE A 18 -0.853 1.661 2.859 1.00 0.00 O ATOM 255 CB PHE A 18 1.535 1.216 0.707 1.00 0.00 C ATOM 256 CG PHE A 18 3.016 0.960 0.677 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.537 -0.112 -0.030 1.00 0.00 C ATOM 258 CD2 PHE A 18 3.888 1.795 1.358 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.896 -0.348 -0.054 1.00 0.00 C ATOM 260 CE2 PHE A 18 5.250 1.563 1.338 1.00 0.00 C ATOM 261 CZ PHE A 18 5.755 0.492 0.628 1.00 0.00 C ATOM 0 H PHE A 18 0.851 -1.179 0.289 1.00 0.00 H new ATOM 0 HA PHE A 18 1.316 0.400 2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.122 1.035 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.360 2.267 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.871 -0.770 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.498 2.637 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.288 -1.189 -0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.918 2.218 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.820 0.311 0.606 1.00 0.00 H new ATOM 271 N ARG A 19 -1.566 0.432 1.117 1.00 0.00 N ATOM 272 CA ARG A 19 -2.956 0.875 1.246 1.00 0.00 C ATOM 273 C ARG A 19 -3.488 0.574 2.641 1.00 0.00 C ATOM 274 O ARG A 19 -4.311 1.314 3.179 1.00 0.00 O ATOM 275 CB ARG A 19 -3.857 0.197 0.211 1.00 0.00 C ATOM 276 CG ARG A 19 -3.460 0.462 -1.232 1.00 0.00 C ATOM 277 CD ARG A 19 -4.471 -0.131 -2.198 1.00 0.00 C ATOM 278 NE ARG A 19 -5.754 0.571 -2.148 1.00 0.00 N ATOM 279 CZ ARG A 19 -6.928 0.012 -2.448 1.00 0.00 C ATOM 280 NH1 ARG A 19 -7.005 -1.280 -2.742 1.00 0.00 N ATOM 281 NH2 ARG A 19 -8.035 0.744 -2.434 1.00 0.00 N ATOM 0 H ARG A 19 -1.399 -0.230 0.359 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.969 1.951 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.847 -0.879 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.882 0.535 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.381 1.536 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.475 0.036 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.073 -0.087 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.624 -1.184 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.751 1.551 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.162 -1.855 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.907 -1.698 -2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.989 1.734 -2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.932 0.316 -2.663 1.00 0.00 H new ATOM 295 N THR A 20 -3.007 -0.515 3.222 1.00 0.00 N ATOM 296 CA THR A 20 -3.421 -0.904 4.554 1.00 0.00 C ATOM 297 C THR A 20 -2.678 -0.069 5.591 1.00 0.00 C ATOM 298 O THR A 20 -3.298 0.623 6.388 1.00 0.00 O ATOM 299 CB THR A 20 -3.156 -2.402 4.800 1.00 0.00 C ATOM 300 OG1 THR A 20 -3.700 -3.174 3.718 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.772 -2.859 6.116 1.00 0.00 C ATOM 0 H THR A 20 -2.330 -1.143 2.789 1.00 0.00 H new ATOM 0 HA THR A 20 -4.493 -0.727 4.645 1.00 0.00 H new ATOM 0 HB THR A 20 -2.078 -2.554 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.101 -3.121 2.944 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.569 -3.920 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.339 -2.289 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.849 -2.696 6.090 1.00 0.00 H new ATOM 309 N LEU A 21 -1.346 -0.098 5.517 1.00 0.00 N ATOM 310 CA LEU A 21 -0.473 0.596 6.469 1.00 0.00 C ATOM 311 C LEU A 21 -0.874 2.049 6.697 1.00 0.00 C ATOM 312 O LEU A 21 -0.931 2.512 7.836 1.00 0.00 O ATOM 313 CB LEU A 21 0.959 0.560 5.957 1.00 0.00 C ATOM 314 CG LEU A 21 1.683 -0.761 6.152 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.899 -0.816 5.252 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.090 -0.927 7.605 1.00 0.00 C ATOM 0 H LEU A 21 -0.839 -0.606 4.792 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.568 0.076 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.954 0.799 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.527 1.344 6.458 1.00 0.00 H new ATOM 0 HG LEU A 21 1.012 -1.578 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.415 -1.765 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.586 -0.727 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.573 0.004 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.608 -1.878 7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.753 -0.111 7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.201 -0.911 8.236 1.00 0.00 H new ATOM 328 N ILE A 22 -1.127 2.763 5.613 1.00 0.00 N ATOM 329 CA ILE A 22 -1.440 4.182 5.686 1.00 0.00 C ATOM 330 C ILE A 22 -2.803 4.414 6.332 1.00 0.00 C ATOM 331 O ILE A 22 -2.956 5.283 7.192 1.00 0.00 O ATOM 332 CB ILE A 22 -1.389 4.839 4.280 1.00 0.00 C ATOM 333 CG1 ILE A 22 0.053 5.196 3.903 1.00 0.00 C ATOM 334 CG2 ILE A 22 -2.270 6.079 4.205 1.00 0.00 C ATOM 335 CD1 ILE A 22 0.979 4.005 3.760 1.00 0.00 C ATOM 0 H ILE A 22 -1.122 2.382 4.667 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.682 4.652 6.312 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.774 4.110 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.043 5.747 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.458 5.866 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.207 6.510 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.303 5.805 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.931 6.811 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.977 4.351 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.024 3.463 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.603 3.343 2.980 1.00 0.00 H new ATOM 347 N LYS A 23 -3.785 3.613 5.949 1.00 0.00 N ATOM 348 CA LYS A 23 -5.140 3.806 6.440 1.00 0.00 C ATOM 349 C LYS A 23 -5.358 3.093 7.774 1.00 0.00 C ATOM 350 O LYS A 23 -6.399 3.252 8.410 1.00 0.00 O ATOM 351 CB LYS A 23 -6.155 3.367 5.384 1.00 0.00 C ATOM 352 CG LYS A 23 -6.033 4.170 4.094 1.00 0.00 C ATOM 353 CD LYS A 23 -7.211 3.950 3.160 1.00 0.00 C ATOM 354 CE LYS A 23 -7.308 2.511 2.686 1.00 0.00 C ATOM 355 NZ LYS A 23 -8.410 2.333 1.707 1.00 0.00 N ATOM 0 H LYS A 23 -3.671 2.830 5.305 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.290 4.869 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.013 2.309 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.163 3.478 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.957 5.230 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.111 3.893 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.134 4.225 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.116 4.609 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.364 2.213 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.471 1.855 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.448 1.339 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.314 2.595 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.241 2.941 0.880 1.00 0.00 H new ATOM 369 N SER A 24 -4.370 2.313 8.194 1.00 0.00 N ATOM 370 CA SER A 24 -4.347 1.757 9.540 1.00 0.00 C ATOM 371 C SER A 24 -3.318 2.516 10.371 1.00 0.00 C ATOM 372 O SER A 24 -2.981 2.109 11.484 1.00 0.00 O ATOM 373 CB SER A 24 -4.008 0.262 9.509 1.00 0.00 C ATOM 374 OG SER A 24 -2.696 0.039 9.016 1.00 0.00 O ATOM 0 H SER A 24 -3.570 2.050 7.618 1.00 0.00 H new ATOM 0 HA SER A 24 -5.335 1.864 9.988 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.097 -0.154 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.728 -0.263 8.882 1.00 0.00 H new ATOM 0 HG SER A 24 -2.651 0.303 8.073 1.00 0.00 H new ATOM 380 N GLY A 25 -2.955 3.698 9.856 1.00 0.00 N ATOM 381 CA GLY A 25 -1.835 4.520 10.334 1.00 0.00 C ATOM 382 C GLY A 25 -0.721 3.795 11.084 1.00 0.00 C ATOM 383 O GLY A 25 -0.055 4.391 11.933 1.00 0.00 O ATOM 0 H GLY A 25 -3.448 4.122 9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.393 5.025 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.237 5.294 10.988 1.00 0.00 H new ATOM 387 N GLU A 26 -0.527 2.517 10.788 1.00 0.00 N ATOM 388 CA GLU A 26 0.600 1.767 11.327 1.00 0.00 C ATOM 389 C GLU A 26 1.890 2.285 10.707 1.00 0.00 C ATOM 390 O GLU A 26 2.951 2.284 11.337 1.00 0.00 O ATOM 391 CB GLU A 26 0.439 0.276 11.046 1.00 0.00 C ATOM 392 CG GLU A 26 -0.853 -0.298 11.596 1.00 0.00 C ATOM 393 CD GLU A 26 -0.990 -1.778 11.340 1.00 0.00 C ATOM 394 OE1 GLU A 26 -0.484 -2.576 12.157 1.00 0.00 O ATOM 395 OE2 GLU A 26 -1.611 -2.150 10.324 1.00 0.00 O ATOM 0 H GLU A 26 -1.138 1.976 10.175 1.00 0.00 H new ATOM 0 HA GLU A 26 0.635 1.904 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.474 0.110 9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.282 -0.262 11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.899 -0.114 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.698 0.224 11.146 1.00 0.00 H new ATOM 402 N LEU A 27 1.780 2.723 9.462 1.00 0.00 N ATOM 403 CA LEU A 27 2.862 3.408 8.784 1.00 0.00 C ATOM 404 C LEU A 27 2.541 4.895 8.779 1.00 0.00 C ATOM 405 O LEU A 27 1.772 5.376 7.945 1.00 0.00 O ATOM 406 CB LEU A 27 3.027 2.871 7.358 1.00 0.00 C ATOM 407 CG LEU A 27 4.301 3.296 6.624 1.00 0.00 C ATOM 408 CD1 LEU A 27 5.538 2.881 7.406 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.329 2.689 5.227 1.00 0.00 C ATOM 0 H LEU A 27 0.938 2.612 8.897 1.00 0.00 H new ATOM 0 HA LEU A 27 3.806 3.237 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.999 1.782 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.168 3.191 6.769 1.00 0.00 H new ATOM 0 HG LEU A 27 4.302 4.382 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.432 3.193 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.524 3.354 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.546 1.798 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.240 2.998 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.306 1.602 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.461 3.032 4.664 1.00 0.00 H new ATOM 421 N ALA A 28 3.088 5.600 9.755 1.00 0.00 N ATOM 422 CA ALA A 28 2.724 6.989 10.013 1.00 0.00 C ATOM 423 C ALA A 28 3.210 7.934 8.917 1.00 0.00 C ATOM 424 O ALA A 28 4.200 7.659 8.238 1.00 0.00 O ATOM 425 CB ALA A 28 3.277 7.422 11.364 1.00 0.00 C ATOM 0 H ALA A 28 3.795 5.230 10.391 1.00 0.00 H new ATOM 0 HA ALA A 28 1.636 7.046 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.003 8.460 11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.861 6.788 12.147 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.363 7.328 11.360 1.00 0.00 H new ATOM 431 N PRO A 29 2.520 9.073 8.745 1.00 0.00 N ATOM 432 CA PRO A 29 2.923 10.101 7.792 1.00 0.00 C ATOM 433 C PRO A 29 4.085 10.921 8.336 1.00 0.00 C ATOM 434 O PRO A 29 4.020 11.456 9.444 1.00 0.00 O ATOM 435 CB PRO A 29 1.671 10.979 7.636 1.00 0.00 C ATOM 436 CG PRO A 29 0.587 10.298 8.413 1.00 0.00 C ATOM 437 CD PRO A 29 1.278 9.438 9.431 1.00 0.00 C ATOM 0 HA PRO A 29 3.264 9.680 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.850 11.985 8.016 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.394 11.080 6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.063 11.028 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.042 9.696 7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.470 9.980 10.357 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.685 8.561 9.691 1.00 0.00 H new ATOM 445 N GLY A 30 5.142 11.011 7.552 1.00 0.00 N ATOM 446 CA GLY A 30 6.364 11.626 8.014 1.00 0.00 C ATOM 447 C GLY A 30 7.434 10.584 8.231 1.00 0.00 C ATOM 448 O GLY A 30 8.590 10.901 8.516 1.00 0.00 O ATOM 0 H GLY A 30 5.176 10.665 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.706 12.360 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.178 12.163 8.944 1.00 0.00 H new ATOM 452 N ASP A 31 7.037 9.327 8.093 1.00 0.00 N ATOM 453 CA ASP A 31 7.959 8.210 8.195 1.00 0.00 C ATOM 454 C ASP A 31 8.397 7.824 6.791 1.00 0.00 C ATOM 455 O ASP A 31 7.641 8.003 5.833 1.00 0.00 O ATOM 456 CB ASP A 31 7.269 7.025 8.885 1.00 0.00 C ATOM 457 CG ASP A 31 8.234 6.006 9.474 1.00 0.00 C ATOM 458 OD1 ASP A 31 9.372 5.872 8.971 1.00 0.00 O ATOM 459 OD2 ASP A 31 7.859 5.338 10.462 1.00 0.00 O ATOM 0 H ASP A 31 6.071 9.056 7.908 1.00 0.00 H new ATOM 0 HA ASP A 31 8.829 8.490 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.627 7.404 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.622 6.524 8.164 1.00 0.00 H new ATOM 464 N THR A 32 9.602 7.309 6.657 1.00 0.00 N ATOM 465 CA THR A 32 10.110 6.909 5.357 1.00 0.00 C ATOM 466 C THR A 32 9.523 5.571 4.953 1.00 0.00 C ATOM 467 O THR A 32 9.084 4.800 5.809 1.00 0.00 O ATOM 468 CB THR A 32 11.638 6.781 5.367 1.00 0.00 C ATOM 469 OG1 THR A 32 12.049 6.014 6.508 1.00 0.00 O ATOM 470 CG2 THR A 32 12.314 8.141 5.390 1.00 0.00 C ATOM 0 H THR A 32 10.249 7.157 7.431 1.00 0.00 H new ATOM 0 HA THR A 32 9.820 7.682 4.646 1.00 0.00 H new ATOM 0 HB THR A 32 11.940 6.274 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.026 5.932 6.512 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.396 8.009 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.023 8.707 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.009 8.684 6.285 1.00 0.00 H new ATOM 478 N LEU A 33 9.498 5.301 3.660 1.00 0.00 N ATOM 479 CA LEU A 33 9.099 3.991 3.191 1.00 0.00 C ATOM 480 C LEU A 33 10.043 2.937 3.743 1.00 0.00 C ATOM 481 O LEU A 33 11.259 3.144 3.800 1.00 0.00 O ATOM 482 CB LEU A 33 9.073 3.912 1.661 1.00 0.00 C ATOM 483 CG LEU A 33 7.999 4.754 0.973 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.795 4.283 -0.457 1.00 0.00 C ATOM 485 CD2 LEU A 33 6.694 4.692 1.747 1.00 0.00 C ATOM 0 H LEU A 33 9.746 5.964 2.926 1.00 0.00 H new ATOM 0 HA LEU A 33 8.086 3.807 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.048 4.220 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.933 2.871 1.371 1.00 0.00 H new ATOM 0 HG LEU A 33 8.334 5.791 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.027 4.892 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.730 4.380 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.481 3.239 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.942 5.298 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.352 3.659 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.850 5.075 2.755 1.00 0.00 H new ATOM 497 N PRO A 34 9.495 1.793 4.153 1.00 0.00 N ATOM 498 CA PRO A 34 10.291 0.699 4.707 1.00 0.00 C ATOM 499 C PRO A 34 11.076 -0.036 3.628 1.00 0.00 C ATOM 500 O PRO A 34 10.855 0.170 2.430 1.00 0.00 O ATOM 501 CB PRO A 34 9.230 -0.235 5.305 1.00 0.00 C ATOM 502 CG PRO A 34 7.992 0.048 4.527 1.00 0.00 C ATOM 503 CD PRO A 34 8.051 1.508 4.176 1.00 0.00 C ATOM 0 HA PRO A 34 11.032 1.051 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.525 -1.280 5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.083 -0.038 6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.946 -0.568 3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.102 -0.177 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.586 1.709 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.532 2.120 4.913 1.00 0.00 H new ATOM 511 N SER A 35 12.004 -0.875 4.055 1.00 0.00 N ATOM 512 CA SER A 35 12.805 -1.645 3.126 1.00 0.00 C ATOM 513 C SER A 35 11.915 -2.632 2.392 1.00 0.00 C ATOM 514 O SER A 35 10.924 -3.100 2.953 1.00 0.00 O ATOM 515 CB SER A 35 13.924 -2.374 3.870 1.00 0.00 C ATOM 516 OG SER A 35 13.412 -3.203 4.902 1.00 0.00 O ATOM 0 H SER A 35 12.219 -1.039 5.038 1.00 0.00 H new ATOM 0 HA SER A 35 13.264 -0.974 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.495 -2.979 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.613 -1.645 4.296 1.00 0.00 H new ATOM 0 HG SER A 35 12.442 -3.082 4.968 1.00 0.00 H new ATOM 522 N VAL A 36 12.266 -2.945 1.146 1.00 0.00 N ATOM 523 CA VAL A 36 11.466 -3.844 0.308 1.00 0.00 C ATOM 524 C VAL A 36 11.118 -5.138 1.041 1.00 0.00 C ATOM 525 O VAL A 36 10.080 -5.749 0.784 1.00 0.00 O ATOM 526 CB VAL A 36 12.185 -4.181 -1.017 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.286 -2.944 -1.896 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.568 -4.768 -0.754 1.00 0.00 C ATOM 0 H VAL A 36 13.105 -2.587 0.689 1.00 0.00 H new ATOM 0 HA VAL A 36 10.543 -3.311 0.080 1.00 0.00 H new ATOM 0 HB VAL A 36 11.595 -4.932 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.795 -3.199 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.285 -2.574 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.850 -2.171 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.053 -4.996 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.171 -4.046 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.470 -5.682 -0.168 1.00 0.00 H new ATOM 538 N ALA A 37 11.982 -5.525 1.973 1.00 0.00 N ATOM 539 CA ALA A 37 11.773 -6.710 2.790 1.00 0.00 C ATOM 540 C ALA A 37 10.474 -6.620 3.587 1.00 0.00 C ATOM 541 O ALA A 37 9.716 -7.581 3.645 1.00 0.00 O ATOM 542 CB ALA A 37 12.952 -6.913 3.725 1.00 0.00 C ATOM 0 H ALA A 37 12.846 -5.025 2.182 1.00 0.00 H new ATOM 0 HA ALA A 37 11.693 -7.568 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.786 -7.803 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.863 -7.038 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.055 -6.044 4.375 1.00 0.00 H new ATOM 548 N ASP A 38 10.196 -5.453 4.170 1.00 0.00 N ATOM 549 CA ASP A 38 9.015 -5.289 5.024 1.00 0.00 C ATOM 550 C ASP A 38 7.741 -5.346 4.190 1.00 0.00 C ATOM 551 O ASP A 38 6.659 -5.643 4.701 1.00 0.00 O ATOM 552 CB ASP A 38 9.054 -3.966 5.805 1.00 0.00 C ATOM 553 CG ASP A 38 10.389 -3.717 6.482 1.00 0.00 C ATOM 554 OD1 ASP A 38 10.733 -4.463 7.422 1.00 0.00 O ATOM 555 OD2 ASP A 38 11.093 -2.764 6.087 1.00 0.00 O ATOM 0 H ASP A 38 10.766 -4.613 4.069 1.00 0.00 H new ATOM 0 HA ASP A 38 9.021 -6.110 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.839 -3.142 5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.266 -3.972 6.558 1.00 0.00 H new ATOM 560 N ILE A 39 7.867 -5.040 2.905 1.00 0.00 N ATOM 561 CA ILE A 39 6.752 -5.136 1.986 1.00 0.00 C ATOM 562 C ILE A 39 6.552 -6.588 1.576 1.00 0.00 C ATOM 563 O ILE A 39 5.480 -7.153 1.780 1.00 0.00 O ATOM 564 CB ILE A 39 6.950 -4.286 0.699 1.00 0.00 C ATOM 565 CG1 ILE A 39 7.083 -2.787 0.995 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.788 -4.499 -0.255 1.00 0.00 C ATOM 567 CD1 ILE A 39 8.431 -2.371 1.528 1.00 0.00 C ATOM 0 H ILE A 39 8.737 -4.722 2.479 1.00 0.00 H new ATOM 0 HA ILE A 39 5.880 -4.748 2.512 1.00 0.00 H new ATOM 0 HB ILE A 39 7.882 -4.622 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.881 -2.230 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.318 -2.503 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.939 -3.898 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.731 -5.552 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.859 -4.199 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.435 -1.296 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.631 -2.897 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.203 -2.619 0.799 1.00 0.00 H new ATOM 579 N ARG A 40 7.615 -7.191 1.048 1.00 0.00 N ATOM 580 CA ARG A 40 7.532 -8.497 0.401 1.00 0.00 C ATOM 581 C ARG A 40 7.453 -9.656 1.395 1.00 0.00 C ATOM 582 O ARG A 40 7.022 -10.750 1.036 1.00 0.00 O ATOM 583 CB ARG A 40 8.725 -8.703 -0.532 1.00 0.00 C ATOM 584 CG ARG A 40 10.068 -8.732 0.177 1.00 0.00 C ATOM 585 CD ARG A 40 11.163 -9.240 -0.741 1.00 0.00 C ATOM 586 NE ARG A 40 10.854 -10.573 -1.244 1.00 0.00 N ATOM 587 CZ ARG A 40 11.202 -11.698 -0.627 1.00 0.00 C ATOM 588 NH1 ARG A 40 11.943 -11.660 0.474 1.00 0.00 N ATOM 589 NH2 ARG A 40 10.821 -12.864 -1.123 1.00 0.00 N ATOM 0 H ARG A 40 8.553 -6.790 1.057 1.00 0.00 H new ATOM 0 HA ARG A 40 6.603 -8.499 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.592 -9.639 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.735 -7.904 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.319 -7.731 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.003 -9.371 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.287 -8.553 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.111 -9.262 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 40 10.340 -10.647 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.249 -10.763 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.206 -12.527 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.262 -12.897 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.086 -13.729 -0.653 1.00 0.00 H new ATOM 603 N ALA A 41 7.878 -9.430 2.625 1.00 0.00 N ATOM 604 CA ALA A 41 7.828 -10.476 3.642 1.00 0.00 C ATOM 605 C ALA A 41 6.394 -10.716 4.072 1.00 0.00 C ATOM 606 O ALA A 41 5.969 -11.851 4.291 1.00 0.00 O ATOM 607 CB ALA A 41 8.680 -10.101 4.842 1.00 0.00 C ATOM 0 H ALA A 41 8.260 -8.540 2.947 1.00 0.00 H new ATOM 0 HA ALA A 41 8.228 -11.394 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.628 -10.895 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.715 -9.967 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.310 -9.172 5.275 1.00 0.00 H new ATOM 613 N GLN A 42 5.654 -9.631 4.186 1.00 0.00 N ATOM 614 CA GLN A 42 4.250 -9.703 4.528 1.00 0.00 C ATOM 615 C GLN A 42 3.447 -9.980 3.268 1.00 0.00 C ATOM 616 O GLN A 42 2.746 -10.985 3.155 1.00 0.00 O ATOM 617 CB GLN A 42 3.804 -8.382 5.151 1.00 0.00 C ATOM 618 CG GLN A 42 4.609 -7.980 6.381 1.00 0.00 C ATOM 619 CD GLN A 42 4.397 -8.909 7.561 1.00 0.00 C ATOM 620 OE1 GLN A 42 3.312 -9.459 7.748 1.00 0.00 O ATOM 621 NE2 GLN A 42 5.432 -9.102 8.363 1.00 0.00 N ATOM 0 H GLN A 42 6.006 -8.684 4.045 1.00 0.00 H new ATOM 0 HA GLN A 42 4.086 -10.505 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.883 -7.593 4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.752 -8.457 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.668 -7.964 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.335 -6.966 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.316 -8.629 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.345 -9.724 9.167 1.00 0.00 H new ATOM 630 N PHE A 43 3.559 -9.061 2.331 1.00 0.00 N ATOM 631 CA PHE A 43 2.942 -9.195 1.031 1.00 0.00 C ATOM 632 C PHE A 43 3.922 -9.831 0.060 1.00 0.00 C ATOM 633 O PHE A 43 4.804 -9.164 -0.465 1.00 0.00 O ATOM 634 CB PHE A 43 2.469 -7.827 0.548 1.00 0.00 C ATOM 635 CG PHE A 43 1.207 -7.395 1.244 1.00 0.00 C ATOM 636 CD1 PHE A 43 1.244 -6.876 2.527 1.00 0.00 C ATOM 637 CD2 PHE A 43 -0.019 -7.533 0.620 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.082 -6.503 3.173 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.184 -7.159 1.259 1.00 0.00 C ATOM 640 CZ PHE A 43 -1.134 -6.643 2.537 1.00 0.00 C ATOM 0 H PHE A 43 4.084 -8.195 2.453 1.00 0.00 H new ATOM 0 HA PHE A 43 2.071 -9.847 1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.252 -7.089 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.298 -7.861 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.193 -6.761 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.066 -7.938 -0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.125 -6.102 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.134 -7.270 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.044 -6.349 3.038 1.00 0.00 H new ATOM 650 N GLY A 44 3.759 -11.131 -0.139 1.00 0.00 N ATOM 651 CA GLY A 44 4.707 -11.925 -0.908 1.00 0.00 C ATOM 652 C GLY A 44 4.942 -11.414 -2.315 1.00 0.00 C ATOM 653 O GLY A 44 4.142 -11.659 -3.220 1.00 0.00 O ATOM 0 H GLY A 44 2.969 -11.664 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.659 -11.949 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.346 -12.952 -0.961 1.00 0.00 H new ATOM 657 N VAL A 45 6.045 -10.706 -2.491 1.00 0.00 N ATOM 658 CA VAL A 45 6.440 -10.179 -3.791 1.00 0.00 C ATOM 659 C VAL A 45 7.955 -10.173 -3.915 1.00 0.00 C ATOM 660 O VAL A 45 8.662 -10.574 -2.990 1.00 0.00 O ATOM 661 CB VAL A 45 5.922 -8.741 -4.023 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.433 -8.731 -4.308 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.231 -7.856 -2.832 1.00 0.00 C ATOM 0 H VAL A 45 6.694 -10.479 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 45 5.995 -10.831 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 45 6.440 -8.344 -4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.100 -7.705 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.230 -9.321 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.898 -9.160 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.857 -6.850 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.750 -8.262 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.309 -7.819 -2.676 1.00 0.00 H new ATOM 673 N ALA A 46 8.453 -9.737 -5.058 1.00 0.00 N ATOM 674 CA ALA A 46 9.880 -9.544 -5.230 1.00 0.00 C ATOM 675 C ALA A 46 10.241 -8.113 -4.849 1.00 0.00 C ATOM 676 O ALA A 46 9.357 -7.297 -4.582 1.00 0.00 O ATOM 677 CB ALA A 46 10.289 -9.846 -6.663 1.00 0.00 C ATOM 0 H ALA A 46 7.891 -9.511 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 46 10.421 -10.232 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.363 -9.696 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.040 -10.880 -6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.757 -9.179 -7.341 1.00 0.00 H new ATOM 683 N ALA A 47 11.526 -7.795 -4.854 1.00 0.00 N ATOM 684 CA ALA A 47 11.969 -6.460 -4.485 1.00 0.00 C ATOM 685 C ALA A 47 11.733 -5.505 -5.641 1.00 0.00 C ATOM 686 O ALA A 47 11.681 -4.286 -5.468 1.00 0.00 O ATOM 687 CB ALA A 47 13.435 -6.472 -4.086 1.00 0.00 C ATOM 0 H ALA A 47 12.276 -8.438 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 47 11.392 -6.121 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.746 -5.463 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.575 -7.137 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.037 -6.824 -4.924 1.00 0.00 H new ATOM 693 N LYS A 48 11.578 -6.082 -6.824 1.00 0.00 N ATOM 694 CA LYS A 48 11.194 -5.325 -8.000 1.00 0.00 C ATOM 695 C LYS A 48 9.716 -4.973 -7.901 1.00 0.00 C ATOM 696 O LYS A 48 9.321 -3.824 -8.093 1.00 0.00 O ATOM 697 CB LYS A 48 11.442 -6.147 -9.268 1.00 0.00 C ATOM 698 CG LYS A 48 12.822 -6.781 -9.332 1.00 0.00 C ATOM 699 CD LYS A 48 13.928 -5.741 -9.390 1.00 0.00 C ATOM 700 CE LYS A 48 15.294 -6.400 -9.292 1.00 0.00 C ATOM 701 NZ LYS A 48 16.406 -5.417 -9.387 1.00 0.00 N ATOM 0 H LYS A 48 11.714 -7.079 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 48 11.792 -4.415 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.689 -6.932 -9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.308 -5.504 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.969 -7.417 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.884 -7.425 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.856 -5.179 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.805 -5.027 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.368 -6.938 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.396 -7.138 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.316 -5.915 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.354 -4.921 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.326 -4.727 -8.613 1.00 0.00 H new ATOM 715 N THR A 49 8.920 -5.982 -7.545 1.00 0.00 N ATOM 716 CA THR A 49 7.470 -5.861 -7.473 1.00 0.00 C ATOM 717 C THR A 49 7.040 -4.731 -6.540 1.00 0.00 C ATOM 718 O THR A 49 6.133 -3.962 -6.862 1.00 0.00 O ATOM 719 CB THR A 49 6.850 -7.177 -6.980 1.00 0.00 C ATOM 720 OG1 THR A 49 7.550 -8.291 -7.548 1.00 0.00 O ATOM 721 CG2 THR A 49 5.383 -7.256 -7.358 1.00 0.00 C ATOM 0 H THR A 49 9.268 -6.909 -7.298 1.00 0.00 H new ATOM 0 HA THR A 49 7.117 -5.633 -8.479 1.00 0.00 H new ATOM 0 HB THR A 49 6.934 -7.208 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.935 -9.048 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.965 -8.196 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.845 -6.423 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.283 -7.205 -8.442 1.00 0.00 H new ATOM 729 N VAL A 50 7.701 -4.639 -5.387 1.00 0.00 N ATOM 730 CA VAL A 50 7.424 -3.592 -4.410 1.00 0.00 C ATOM 731 C VAL A 50 7.484 -2.211 -5.058 1.00 0.00 C ATOM 732 O VAL A 50 6.536 -1.429 -4.987 1.00 0.00 O ATOM 733 CB VAL A 50 8.447 -3.648 -3.258 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.236 -2.496 -2.285 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.373 -4.983 -2.535 1.00 0.00 C ATOM 0 H VAL A 50 8.439 -5.285 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 50 6.420 -3.761 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 50 9.443 -3.548 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.970 -2.559 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.354 -1.549 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.232 -2.554 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.104 -5.000 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.373 -5.119 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.589 -5.789 -3.236 1.00 0.00 H new ATOM 745 N SER A 51 8.599 -1.942 -5.715 1.00 0.00 N ATOM 746 CA SER A 51 8.845 -0.647 -6.335 1.00 0.00 C ATOM 747 C SER A 51 7.952 -0.429 -7.560 1.00 0.00 C ATOM 748 O SER A 51 7.924 0.659 -8.137 1.00 0.00 O ATOM 749 CB SER A 51 10.323 -0.536 -6.718 1.00 0.00 C ATOM 750 OG SER A 51 10.651 0.766 -7.174 1.00 0.00 O ATOM 0 H SER A 51 9.359 -2.612 -5.835 1.00 0.00 H new ATOM 0 HA SER A 51 8.598 0.132 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.942 -0.786 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.552 -1.263 -7.497 1.00 0.00 H new ATOM 0 HG SER A 51 9.864 1.174 -7.592 1.00 0.00 H new ATOM 756 N ARG A 52 7.211 -1.459 -7.957 1.00 0.00 N ATOM 757 CA ARG A 52 6.330 -1.343 -9.111 1.00 0.00 C ATOM 758 C ARG A 52 5.001 -0.718 -8.701 1.00 0.00 C ATOM 759 O ARG A 52 4.508 0.199 -9.362 1.00 0.00 O ATOM 760 CB ARG A 52 6.095 -2.704 -9.769 1.00 0.00 C ATOM 761 CG ARG A 52 7.353 -3.382 -10.301 1.00 0.00 C ATOM 762 CD ARG A 52 8.015 -2.594 -11.427 1.00 0.00 C ATOM 763 NE ARG A 52 8.674 -1.375 -10.956 1.00 0.00 N ATOM 764 CZ ARG A 52 8.935 -0.320 -11.732 1.00 0.00 C ATOM 765 NH1 ARG A 52 8.649 -0.360 -13.029 1.00 0.00 N ATOM 766 NH2 ARG A 52 9.512 0.757 -11.216 1.00 0.00 N ATOM 0 H ARG A 52 7.203 -2.372 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 52 6.816 -0.696 -9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.621 -3.366 -9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.392 -2.578 -10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.065 -3.510 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.099 -4.379 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.748 -3.228 -11.926 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.263 -2.331 -12.171 1.00 0.00 H new ATOM 0 HE ARG A 52 8.951 -1.328 -9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.230 -1.197 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.849 0.447 -13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.757 0.780 -10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.711 1.563 -11.809 1.00 0.00 H new ATOM 780 N ALA A 53 4.424 -1.214 -7.609 1.00 0.00 N ATOM 781 CA ALA A 53 3.180 -0.665 -7.086 1.00 0.00 C ATOM 782 C ALA A 53 3.384 0.714 -6.474 1.00 0.00 C ATOM 783 O ALA A 53 2.427 1.466 -6.310 1.00 0.00 O ATOM 784 CB ALA A 53 2.579 -1.596 -6.057 1.00 0.00 C ATOM 0 H ALA A 53 4.800 -1.995 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 53 2.494 -0.564 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.651 -1.169 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.373 -2.562 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.280 -1.729 -5.233 1.00 0.00 H new ATOM 790 N LEU A 54 4.627 1.042 -6.120 1.00 0.00 N ATOM 791 CA LEU A 54 4.951 2.380 -5.607 1.00 0.00 C ATOM 792 C LEU A 54 4.464 3.472 -6.561 1.00 0.00 C ATOM 793 O LEU A 54 4.118 4.579 -6.135 1.00 0.00 O ATOM 794 CB LEU A 54 6.456 2.526 -5.377 1.00 0.00 C ATOM 795 CG LEU A 54 7.037 1.663 -4.254 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.522 1.947 -4.082 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.295 1.910 -2.947 1.00 0.00 C ATOM 0 H LEU A 54 5.423 0.407 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 54 4.435 2.497 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.973 2.281 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.673 3.571 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 54 6.912 0.615 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.921 1.326 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.046 1.721 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.665 2.998 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.724 1.287 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.388 2.960 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.242 1.660 -3.074 1.00 0.00 H new ATOM 809 N ALA A 55 4.423 3.153 -7.851 1.00 0.00 N ATOM 810 CA ALA A 55 3.906 4.079 -8.851 1.00 0.00 C ATOM 811 C ALA A 55 2.429 4.374 -8.599 1.00 0.00 C ATOM 812 O ALA A 55 1.944 5.471 -8.871 1.00 0.00 O ATOM 813 CB ALA A 55 4.111 3.518 -10.250 1.00 0.00 C ATOM 0 H ALA A 55 4.742 2.260 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 55 4.458 5.016 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.720 4.221 -10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.175 3.363 -10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.585 2.568 -10.342 1.00 0.00 H new ATOM 819 N VAL A 56 1.732 3.393 -8.047 1.00 0.00 N ATOM 820 CA VAL A 56 0.318 3.525 -7.730 1.00 0.00 C ATOM 821 C VAL A 56 0.139 4.143 -6.343 1.00 0.00 C ATOM 822 O VAL A 56 -0.809 4.887 -6.093 1.00 0.00 O ATOM 823 CB VAL A 56 -0.393 2.149 -7.769 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.883 2.294 -7.489 1.00 0.00 C ATOM 825 CG2 VAL A 56 -0.163 1.463 -9.111 1.00 0.00 C ATOM 0 H VAL A 56 2.129 2.485 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.130 4.175 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 56 0.037 1.526 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.357 1.313 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.027 2.733 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.334 2.940 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.670 0.498 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.560 2.088 -9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.906 1.312 -9.264 1.00 0.00 H new ATOM 835 N LEU A 57 1.089 3.871 -5.455 1.00 0.00 N ATOM 836 CA LEU A 57 0.963 4.246 -4.056 1.00 0.00 C ATOM 837 C LEU A 57 1.190 5.730 -3.865 1.00 0.00 C ATOM 838 O LEU A 57 0.800 6.284 -2.855 1.00 0.00 O ATOM 839 CB LEU A 57 1.944 3.438 -3.202 1.00 0.00 C ATOM 840 CG LEU A 57 1.495 2.017 -2.821 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.308 1.554 -3.654 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.652 1.048 -2.981 1.00 0.00 C ATOM 0 H LEU A 57 1.959 3.389 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.053 4.020 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.890 3.367 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.140 3.994 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 57 1.177 2.039 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.023 0.546 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.532 2.230 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.582 1.554 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.326 0.044 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.989 1.052 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.473 1.351 -2.331 1.00 0.00 H new ATOM 854 N LYS A 58 1.796 6.380 -4.835 1.00 0.00 N ATOM 855 CA LYS A 58 2.006 7.808 -4.724 1.00 0.00 C ATOM 856 C LYS A 58 0.665 8.547 -4.750 1.00 0.00 C ATOM 857 O LYS A 58 0.495 9.567 -4.080 1.00 0.00 O ATOM 858 CB LYS A 58 2.939 8.308 -5.826 1.00 0.00 C ATOM 859 CG LYS A 58 2.364 8.212 -7.231 1.00 0.00 C ATOM 860 CD LYS A 58 3.359 8.679 -8.289 1.00 0.00 C ATOM 861 CE LYS A 58 4.422 7.628 -8.598 1.00 0.00 C ATOM 862 NZ LYS A 58 5.300 7.324 -7.434 1.00 0.00 N ATOM 0 H LYS A 58 2.146 5.954 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 58 2.487 8.015 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.196 9.347 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.866 7.736 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.075 7.181 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.458 8.815 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.821 8.927 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.845 9.593 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.933 6.711 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.037 7.975 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.248 7.062 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.371 8.163 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.896 6.534 -6.891 1.00 0.00 H new ATOM 876 N SER A 59 -0.280 8.021 -5.524 1.00 0.00 N ATOM 877 CA SER A 59 -1.622 8.579 -5.588 1.00 0.00 C ATOM 878 C SER A 59 -2.541 7.872 -4.600 1.00 0.00 C ATOM 879 O SER A 59 -3.204 8.501 -3.786 1.00 0.00 O ATOM 880 CB SER A 59 -2.177 8.446 -7.007 1.00 0.00 C ATOM 881 OG SER A 59 -1.262 8.956 -7.964 1.00 0.00 O ATOM 0 H SER A 59 -0.137 7.204 -6.118 1.00 0.00 H new ATOM 0 HA SER A 59 -1.573 9.635 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.386 7.398 -7.222 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.123 8.982 -7.082 1.00 0.00 H new ATOM 0 HG SER A 59 -1.640 8.858 -8.863 1.00 0.00 H new ATOM 887 N GLU A 60 -2.548 6.549 -4.681 1.00 0.00 N ATOM 888 CA GLU A 60 -3.483 5.715 -3.932 1.00 0.00 C ATOM 889 C GLU A 60 -2.988 5.432 -2.511 1.00 0.00 C ATOM 890 O GLU A 60 -3.697 5.682 -1.536 1.00 0.00 O ATOM 891 CB GLU A 60 -3.699 4.411 -4.713 1.00 0.00 C ATOM 892 CG GLU A 60 -4.157 3.229 -3.880 1.00 0.00 C ATOM 893 CD GLU A 60 -5.556 3.390 -3.319 1.00 0.00 C ATOM 894 OE1 GLU A 60 -6.506 3.530 -4.113 1.00 0.00 O ATOM 895 OE2 GLU A 60 -5.712 3.342 -2.081 1.00 0.00 O ATOM 0 H GLU A 60 -1.904 6.020 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.428 6.247 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.437 4.592 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.766 4.145 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.121 2.328 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.458 3.083 -3.056 1.00 0.00 H new ATOM 902 N GLY A 61 -1.770 4.923 -2.399 1.00 0.00 N ATOM 903 CA GLY A 61 -1.245 4.520 -1.104 1.00 0.00 C ATOM 904 C GLY A 61 -0.795 5.696 -0.261 1.00 0.00 C ATOM 905 O GLY A 61 -0.440 5.524 0.899 1.00 0.00 O ATOM 0 H GLY A 61 -1.132 4.780 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.011 3.964 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.404 3.843 -1.253 1.00 0.00 H new ATOM 909 N LEU A 62 -0.805 6.881 -0.864 1.00 0.00 N ATOM 910 CA LEU A 62 -0.449 8.127 -0.192 1.00 0.00 C ATOM 911 C LEU A 62 1.010 8.131 0.272 1.00 0.00 C ATOM 912 O LEU A 62 1.310 7.914 1.446 1.00 0.00 O ATOM 913 CB LEU A 62 -1.385 8.389 0.985 1.00 0.00 C ATOM 914 CG LEU A 62 -2.880 8.449 0.640 1.00 0.00 C ATOM 915 CD1 LEU A 62 -3.664 9.076 1.782 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.114 9.219 -0.651 1.00 0.00 C ATOM 0 H LEU A 62 -1.063 7.005 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.563 8.931 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.233 7.607 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.099 9.332 1.451 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.233 7.428 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.722 9.111 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.532 8.479 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.301 10.088 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.181 9.245 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.741 10.237 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.587 8.727 -1.469 1.00 0.00 H new ATOM 928 N VAL A 63 1.915 8.369 -0.666 1.00 0.00 N ATOM 929 CA VAL A 63 3.342 8.424 -0.372 1.00 0.00 C ATOM 930 C VAL A 63 4.089 9.162 -1.473 1.00 0.00 C ATOM 931 O VAL A 63 3.830 8.902 -2.647 1.00 0.00 O ATOM 932 CB VAL A 63 3.946 7.009 -0.214 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.407 6.067 -1.274 1.00 0.00 C ATOM 934 CG2 VAL A 63 5.456 7.050 -0.307 1.00 0.00 C ATOM 0 H VAL A 63 1.684 8.529 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 63 3.453 8.960 0.571 1.00 0.00 H new ATOM 0 HB VAL A 63 3.658 6.642 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.847 5.079 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.323 5.997 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.663 6.448 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.855 6.042 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.750 7.449 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.852 7.689 0.483 1.00 0.00 H new ATOM 944 N SER A 64 5.009 10.060 -1.068 1.00 0.00 N ATOM 945 CA SER A 64 5.886 10.813 -2.004 1.00 0.00 C ATOM 946 C SER A 64 6.218 12.205 -1.470 1.00 0.00 C ATOM 947 O SER A 64 5.612 13.196 -1.885 1.00 0.00 O ATOM 948 CB SER A 64 5.260 10.995 -3.393 1.00 0.00 C ATOM 949 OG SER A 64 6.225 11.415 -4.345 1.00 0.00 O ATOM 0 H SER A 64 5.169 10.288 -0.087 1.00 0.00 H new ATOM 0 HA SER A 64 6.788 10.207 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.811 10.056 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.457 11.730 -3.338 1.00 0.00 H new ATOM 0 HG SER A 64 5.797 11.521 -5.220 1.00 0.00 H new ATOM 955 N SER A 65 7.131 12.291 -0.520 1.00 0.00 N ATOM 956 CA SER A 65 7.627 13.589 -0.098 1.00 0.00 C ATOM 957 C SER A 65 8.917 13.959 -0.838 1.00 0.00 C ATOM 958 O SER A 65 8.975 14.967 -1.543 1.00 0.00 O ATOM 959 CB SER A 65 7.852 13.626 1.409 1.00 0.00 C ATOM 960 OG SER A 65 7.849 14.958 1.892 1.00 0.00 O ATOM 0 H SER A 65 7.539 11.493 -0.033 1.00 0.00 H new ATOM 0 HA SER A 65 6.866 14.327 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.073 13.052 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.803 13.151 1.650 1.00 0.00 H new ATOM 0 HG SER A 65 6.928 15.291 1.928 1.00 0.00 H new ATOM 966 N ARG A 66 9.949 13.132 -0.683 1.00 0.00 N ATOM 967 CA ARG A 66 11.285 13.487 -1.147 1.00 0.00 C ATOM 968 C ARG A 66 11.803 12.521 -2.204 1.00 0.00 C ATOM 969 O ARG A 66 11.643 11.307 -2.091 1.00 0.00 O ATOM 970 CB ARG A 66 12.258 13.518 0.034 1.00 0.00 C ATOM 971 CG ARG A 66 11.860 14.477 1.144 1.00 0.00 C ATOM 972 CD ARG A 66 12.270 15.913 0.844 1.00 0.00 C ATOM 973 NE ARG A 66 11.719 16.421 -0.415 1.00 0.00 N ATOM 974 CZ ARG A 66 11.048 17.568 -0.519 1.00 0.00 C ATOM 975 NH1 ARG A 66 10.747 18.266 0.570 1.00 0.00 N ATOM 976 NH2 ARG A 66 10.642 17.993 -1.707 1.00 0.00 N ATOM 0 H ARG A 66 9.885 12.215 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 66 11.216 14.475 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.340 12.513 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.247 13.794 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.781 14.433 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.321 14.158 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.943 16.555 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.358 15.973 0.807 1.00 0.00 H new ATOM 0 HE ARG A 66 11.857 15.866 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.029 17.925 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.233 19.143 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.843 17.442 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.129 18.871 -1.787 1.00 0.00 H new ATOM 990 N GLY A 67 12.381 13.083 -3.251 1.00 0.00 N ATOM 991 CA GLY A 67 13.138 12.297 -4.202 1.00 0.00 C ATOM 992 C GLY A 67 14.609 12.268 -3.834 1.00 0.00 C ATOM 993 O GLY A 67 15.307 11.285 -4.084 1.00 0.00 O ATOM 0 H GLY A 67 12.339 14.080 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.747 11.280 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.018 12.714 -5.202 1.00 0.00 H new ATOM 997 N ALA A 68 15.069 13.351 -3.213 1.00 0.00 N ATOM 998 CA ALA A 68 16.481 13.517 -2.881 1.00 0.00 C ATOM 999 C ALA A 68 16.864 12.734 -1.633 1.00 0.00 C ATOM 1000 O ALA A 68 17.728 11.856 -1.683 1.00 0.00 O ATOM 1001 CB ALA A 68 16.804 14.990 -2.690 1.00 0.00 C ATOM 0 H ALA A 68 14.479 14.132 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 68 17.064 13.122 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.860 15.102 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.587 15.532 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.197 15.394 -1.880 1.00 0.00 H new ATOM 1007 N LEU A 69 16.240 13.069 -0.508 1.00 0.00 N ATOM 1008 CA LEU A 69 16.477 12.349 0.735 1.00 0.00 C ATOM 1009 C LEU A 69 15.939 10.934 0.586 1.00 0.00 C ATOM 1010 O LEU A 69 16.690 9.959 0.634 1.00 0.00 O ATOM 1011 CB LEU A 69 15.797 13.080 1.909 1.00 0.00 C ATOM 1012 CG LEU A 69 16.210 12.637 3.327 1.00 0.00 C ATOM 1013 CD1 LEU A 69 15.634 11.273 3.678 1.00 0.00 C ATOM 1014 CD2 LEU A 69 17.723 12.619 3.462 1.00 0.00 C ATOM 0 H LEU A 69 15.568 13.833 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 69 17.545 12.306 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.002 14.146 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.719 12.952 1.812 1.00 0.00 H new ATOM 0 HG LEU A 69 15.801 13.364 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.946 10.994 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.546 11.315 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.997 10.531 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.995 12.304 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.145 11.922 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 18.117 13.618 3.276 1.00 0.00 H new ATOM 1026 N GLY A 70 14.638 10.835 0.382 1.00 0.00 N ATOM 1027 CA GLY A 70 14.023 9.552 0.149 1.00 0.00 C ATOM 1028 C GLY A 70 12.521 9.632 0.199 1.00 0.00 C ATOM 1029 O GLY A 70 11.963 10.579 0.753 1.00 0.00 O ATOM 0 H GLY A 70 13.994 11.626 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.334 9.172 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.374 8.840 0.896 1.00 0.00 H new ATOM 1033 N THR A 71 11.864 8.643 -0.376 1.00 0.00 N ATOM 1034 CA THR A 71 10.425 8.675 -0.508 1.00 0.00 C ATOM 1035 C THR A 71 9.777 8.272 0.808 1.00 0.00 C ATOM 1036 O THR A 71 10.031 7.194 1.352 1.00 0.00 O ATOM 1037 CB THR A 71 9.936 7.787 -1.680 1.00 0.00 C ATOM 1038 OG1 THR A 71 8.506 7.816 -1.763 1.00 0.00 O ATOM 1039 CG2 THR A 71 10.416 6.350 -1.539 1.00 0.00 C ATOM 0 H THR A 71 12.307 7.808 -0.759 1.00 0.00 H new ATOM 0 HA THR A 71 10.124 9.695 -0.745 1.00 0.00 H new ATOM 0 HB THR A 71 10.362 8.194 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.210 7.253 -2.508 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.052 5.761 -2.380 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.506 6.330 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.035 5.929 -0.609 1.00 0.00 H new ATOM 1047 N VAL A 72 8.973 9.172 1.343 1.00 0.00 N ATOM 1048 CA VAL A 72 8.366 8.963 2.638 1.00 0.00 C ATOM 1049 C VAL A 72 6.859 9.023 2.525 1.00 0.00 C ATOM 1050 O VAL A 72 6.314 9.531 1.538 1.00 0.00 O ATOM 1051 CB VAL A 72 8.844 9.997 3.685 1.00 0.00 C ATOM 1052 CG1 VAL A 72 10.342 10.225 3.580 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.092 11.312 3.565 1.00 0.00 C ATOM 0 H VAL A 72 8.727 10.056 0.897 1.00 0.00 H new ATOM 0 HA VAL A 72 8.676 7.975 2.979 1.00 0.00 H new ATOM 0 HB VAL A 72 8.626 9.583 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.652 10.956 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.866 9.285 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.584 10.598 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.458 12.010 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.251 11.733 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.027 11.138 3.719 1.00 0.00 H new ATOM 1063 N VAL A 73 6.202 8.529 3.549 1.00 0.00 N ATOM 1064 CA VAL A 73 4.759 8.433 3.568 1.00 0.00 C ATOM 1065 C VAL A 73 4.152 9.746 4.036 1.00 0.00 C ATOM 1066 O VAL A 73 4.490 10.238 5.108 1.00 0.00 O ATOM 1067 CB VAL A 73 4.313 7.323 4.529 1.00 0.00 C ATOM 1068 CG1 VAL A 73 2.831 7.037 4.391 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.124 6.062 4.317 1.00 0.00 C ATOM 0 H VAL A 73 6.654 8.181 4.395 1.00 0.00 H new ATOM 0 HA VAL A 73 4.421 8.206 2.557 1.00 0.00 H new ATOM 0 HB VAL A 73 4.493 7.676 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.547 6.246 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.264 7.940 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.615 6.719 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.787 5.292 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.991 5.712 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.179 6.274 4.494 1.00 0.00 H new ATOM 1079 N GLU A 74 3.286 10.328 3.227 1.00 0.00 N ATOM 1080 CA GLU A 74 2.568 11.528 3.628 1.00 0.00 C ATOM 1081 C GLU A 74 1.092 11.368 3.320 1.00 0.00 C ATOM 1082 O GLU A 74 0.722 10.537 2.497 1.00 0.00 O ATOM 1083 CB GLU A 74 3.109 12.777 2.931 1.00 0.00 C ATOM 1084 CG GLU A 74 4.548 13.102 3.284 1.00 0.00 C ATOM 1085 CD GLU A 74 4.828 14.587 3.235 1.00 0.00 C ATOM 1086 OE1 GLU A 74 5.172 15.100 2.152 1.00 0.00 O ATOM 1087 OE2 GLU A 74 4.702 15.249 4.285 1.00 0.00 O ATOM 0 H GLU A 74 3.062 9.992 2.290 1.00 0.00 H new ATOM 0 HA GLU A 74 2.713 11.658 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.031 12.642 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.480 13.628 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.769 12.725 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.215 12.586 2.594 1.00 0.00 H new ATOM 1094 N LYS A 75 0.248 12.153 3.977 1.00 0.00 N ATOM 1095 CA LYS A 75 -1.181 12.099 3.706 1.00 0.00 C ATOM 1096 C LYS A 75 -1.495 12.815 2.390 1.00 0.00 C ATOM 1097 O LYS A 75 -2.129 13.876 2.360 1.00 0.00 O ATOM 1098 CB LYS A 75 -1.996 12.678 4.874 1.00 0.00 C ATOM 1099 CG LYS A 75 -1.668 14.123 5.230 1.00 0.00 C ATOM 1100 CD LYS A 75 -2.592 14.640 6.323 1.00 0.00 C ATOM 1101 CE LYS A 75 -2.442 16.138 6.532 1.00 0.00 C ATOM 1102 NZ LYS A 75 -2.831 16.917 5.327 1.00 0.00 N ATOM 0 H LYS A 75 0.524 12.826 4.692 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.473 11.054 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.056 12.611 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.834 12.056 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.632 14.193 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.762 14.750 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.625 14.412 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.376 14.120 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.057 16.448 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.408 16.365 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.975 17.913 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.077 16.852 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.714 16.532 4.934 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.995 12.232 1.307 1.00 0.00 N ATOM 1117 CA ASN A 76 -1.203 12.746 -0.038 1.00 0.00 C ATOM 1118 C ASN A 76 -2.690 12.899 -0.326 1.00 0.00 C ATOM 1119 O ASN A 76 -3.502 12.093 0.124 1.00 0.00 O ATOM 1120 CB ASN A 76 -0.570 11.806 -1.070 1.00 0.00 C ATOM 1121 CG ASN A 76 0.947 11.914 -1.122 1.00 0.00 C ATOM 1122 OD1 ASN A 76 1.597 12.301 -0.150 1.00 0.00 O ATOM 1123 ND2 ASN A 76 1.526 11.537 -2.253 1.00 0.00 N ATOM 0 H ASN A 76 -0.430 11.383 1.340 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.728 13.724 -0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.848 10.778 -0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.979 12.030 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.542 11.562 -2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.956 11.222 -3.038 1.00 0.00 H new ATOM 1130 N PRO A 77 -3.074 13.953 -1.042 1.00 0.00 N ATOM 1131 CA PRO A 77 -4.453 14.144 -1.458 1.00 0.00 C ATOM 1132 C PRO A 77 -4.851 13.154 -2.533 1.00 0.00 C ATOM 1133 O PRO A 77 -4.271 13.124 -3.621 1.00 0.00 O ATOM 1134 CB PRO A 77 -4.489 15.579 -2.002 1.00 0.00 C ATOM 1135 CG PRO A 77 -3.178 16.188 -1.627 1.00 0.00 C ATOM 1136 CD PRO A 77 -2.212 15.047 -1.489 1.00 0.00 C ATOM 0 HA PRO A 77 -5.153 13.986 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.628 15.584 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.318 16.140 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.843 16.892 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.260 16.744 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.720 14.816 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.426 15.266 -0.766 1.00 0.00 H new ATOM 1144 N ILE A 78 -5.825 12.333 -2.209 1.00 0.00 N ATOM 1145 CA ILE A 78 -6.308 11.332 -3.112 1.00 0.00 C ATOM 1146 C ILE A 78 -7.260 11.925 -4.142 1.00 0.00 C ATOM 1147 O ILE A 78 -8.344 12.412 -3.813 1.00 0.00 O ATOM 1148 CB ILE A 78 -6.917 10.153 -2.317 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -6.154 8.910 -2.695 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -8.415 9.959 -2.540 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -6.406 8.478 -4.126 1.00 0.00 C ATOM 0 H ILE A 78 -6.301 12.347 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.472 10.932 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.822 10.375 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.088 9.088 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.432 8.100 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.765 9.113 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.948 10.860 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.604 9.765 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.830 7.578 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.467 8.271 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.102 9.274 -4.805 1.00 0.00 H new ATOM 1163 N VAL A 79 -6.779 11.934 -5.392 1.00 0.00 N ATOM 1164 CA VAL A 79 -7.518 12.430 -6.559 1.00 0.00 C ATOM 1165 C VAL A 79 -8.298 13.710 -6.250 1.00 0.00 C ATOM 1166 O VAL A 79 -9.385 13.943 -6.785 1.00 0.00 O ATOM 1167 CB VAL A 79 -8.458 11.350 -7.161 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -7.653 10.147 -7.631 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -9.542 10.913 -6.181 1.00 0.00 C ATOM 0 H VAL A 79 -5.847 11.590 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.765 12.672 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.960 11.802 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.327 9.400 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.940 10.461 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.114 9.717 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.173 10.157 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.078 10.495 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.151 11.774 -5.905 1.00 0.00 H new ATOM 1179 N ILE A 80 -7.704 14.564 -5.427 1.00 0.00 N ATOM 1180 CA ILE A 80 -8.379 15.752 -4.944 1.00 0.00 C ATOM 1181 C ILE A 80 -8.313 16.867 -5.988 1.00 0.00 C ATOM 1182 O ILE A 80 -7.293 17.045 -6.650 1.00 0.00 O ATOM 1183 CB ILE A 80 -7.766 16.248 -3.609 1.00 0.00 C ATOM 1184 CG1 ILE A 80 -7.991 15.221 -2.495 1.00 0.00 C ATOM 1185 CG2 ILE A 80 -8.342 17.599 -3.207 1.00 0.00 C ATOM 1186 CD1 ILE A 80 -9.450 14.974 -2.171 1.00 0.00 C ATOM 0 H ILE A 80 -6.751 14.451 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.421 15.488 -4.765 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.693 16.368 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.529 14.278 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.482 15.561 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.893 17.921 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.124 18.333 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.421 17.512 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.526 14.235 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.914 15.906 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.962 14.603 -3.059 1.00 0.00 H new ATOM 1198 N THR A 81 -9.404 17.599 -6.153 1.00 0.00 N ATOM 1199 CA THR A 81 -9.447 18.699 -7.108 1.00 0.00 C ATOM 1200 C THR A 81 -10.266 19.874 -6.562 1.00 0.00 C ATOM 1201 O THR A 81 -10.022 21.032 -6.905 1.00 0.00 O ATOM 1202 CB THR A 81 -10.041 18.231 -8.454 1.00 0.00 C ATOM 1203 OG1 THR A 81 -9.389 17.022 -8.875 1.00 0.00 O ATOM 1204 CG2 THR A 81 -9.870 19.296 -9.527 1.00 0.00 C ATOM 0 H THR A 81 -10.272 17.452 -5.638 1.00 0.00 H new ATOM 0 HA THR A 81 -8.422 19.035 -7.269 1.00 0.00 H new ATOM 0 HB THR A 81 -11.106 18.050 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.769 16.726 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.297 18.940 -10.464 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.381 20.208 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.809 19.504 -9.668 1.00 0.00 H new ATOM 1212 N GLY A 82 -11.227 19.579 -5.698 1.00 0.00 N ATOM 1213 CA GLY A 82 -12.075 20.624 -5.167 1.00 0.00 C ATOM 1214 C GLY A 82 -12.173 20.590 -3.657 1.00 0.00 C ATOM 1215 O GLY A 82 -13.267 20.518 -3.103 1.00 0.00 O ATOM 0 H GLY A 82 -11.433 18.640 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.688 21.594 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.073 20.527 -5.594 1.00 0.00 H new ATOM 1219 N ALA A 83 -11.034 20.661 -2.985 1.00 0.00 N ATOM 1220 CA ALA A 83 -11.013 20.649 -1.527 1.00 0.00 C ATOM 1221 C ALA A 83 -11.250 22.051 -0.984 1.00 0.00 C ATOM 1222 O ALA A 83 -11.886 22.231 0.054 1.00 0.00 O ATOM 1223 CB ALA A 83 -9.689 20.099 -1.013 1.00 0.00 C ATOM 0 H ALA A 83 -10.115 20.727 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.814 19.998 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.694 20.099 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.553 19.080 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.871 20.724 -1.372 1.00 0.00 H new ATOM 1229 N ASP A 84 -10.755 23.041 -1.714 1.00 0.00 N ATOM 1230 CA ASP A 84 -10.880 24.437 -1.311 1.00 0.00 C ATOM 1231 C ASP A 84 -12.256 24.985 -1.651 1.00 0.00 C ATOM 1232 O ASP A 84 -12.606 26.095 -1.251 1.00 0.00 O ATOM 1233 CB ASP A 84 -9.811 25.293 -1.993 1.00 0.00 C ATOM 1234 CG ASP A 84 -8.417 24.994 -1.492 1.00 0.00 C ATOM 1235 OD1 ASP A 84 -7.780 24.047 -2.009 1.00 0.00 O ATOM 1236 OD2 ASP A 84 -7.944 25.708 -0.583 1.00 0.00 O ATOM 0 H ASP A 84 -10.260 22.903 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.742 24.479 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.849 25.125 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.034 26.347 -1.826 1.00 0.00 H new ATOM 1241 N ARG A 85 -13.035 24.207 -2.390 1.00 0.00 N ATOM 1242 CA ARG A 85 -14.368 24.637 -2.795 1.00 0.00 C ATOM 1243 C ARG A 85 -15.358 24.467 -1.650 1.00 0.00 C ATOM 1244 O ARG A 85 -16.153 25.364 -1.362 1.00 0.00 O ATOM 1245 CB ARG A 85 -14.859 23.838 -4.002 1.00 0.00 C ATOM 1246 CG ARG A 85 -13.949 23.908 -5.215 1.00 0.00 C ATOM 1247 CD ARG A 85 -14.585 23.213 -6.408 1.00 0.00 C ATOM 1248 NE ARG A 85 -13.686 23.140 -7.557 1.00 0.00 N ATOM 1249 CZ ARG A 85 -13.921 23.750 -8.718 1.00 0.00 C ATOM 1250 NH1 ARG A 85 -14.958 24.562 -8.852 1.00 0.00 N ATOM 1251 NH2 ARG A 85 -13.111 23.560 -9.745 1.00 0.00 N ATOM 0 H ARG A 85 -12.770 23.279 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.303 25.691 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -14.973 22.794 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.848 24.200 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.744 24.950 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.992 23.441 -4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.884 22.205 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.492 23.746 -6.694 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.831 22.592 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.584 24.724 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.131 25.025 -9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.303 22.945 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.294 24.029 -10.632 1.00 0.00 H new ATOM 1265 N LEU A 86 -15.279 23.317 -0.990 1.00 0.00 N ATOM 1266 CA LEU A 86 -16.244 22.930 0.030 1.00 0.00 C ATOM 1267 C LEU A 86 -16.275 23.916 1.191 1.00 0.00 C ATOM 1268 O LEU A 86 -15.350 23.980 2.000 1.00 0.00 O ATOM 1269 CB LEU A 86 -15.922 21.526 0.539 1.00 0.00 C ATOM 1270 CG LEU A 86 -15.957 20.427 -0.525 1.00 0.00 C ATOM 1271 CD1 LEU A 86 -15.613 19.080 0.089 1.00 0.00 C ATOM 1272 CD2 LEU A 86 -17.321 20.375 -1.196 1.00 0.00 C ATOM 0 H LEU A 86 -14.544 22.628 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.233 22.937 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -14.931 21.539 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -16.631 21.270 1.327 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.210 20.660 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.643 18.310 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.613 19.122 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.336 18.840 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -17.326 19.587 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.087 20.167 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.529 21.333 -1.672 1.00 0.00 H new ATOM 1284 N LYS A 87 -17.350 24.693 1.246 1.00 0.00 N ATOM 1285 CA LYS A 87 -17.574 25.643 2.333 1.00 0.00 C ATOM 1286 C LYS A 87 -19.056 25.982 2.448 1.00 0.00 C ATOM 1287 O LYS A 87 -19.489 26.598 3.423 1.00 0.00 O ATOM 1288 CB LYS A 87 -16.767 26.929 2.117 1.00 0.00 C ATOM 1289 CG LYS A 87 -17.162 27.700 0.865 1.00 0.00 C ATOM 1290 CD LYS A 87 -16.350 28.975 0.704 1.00 0.00 C ATOM 1291 CE LYS A 87 -14.863 28.678 0.589 1.00 0.00 C ATOM 1292 NZ LYS A 87 -14.572 27.737 -0.525 1.00 0.00 N ATOM 0 H LYS A 87 -18.089 24.684 0.543 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.240 25.174 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.893 27.576 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.708 26.677 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.021 27.067 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.222 27.948 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.685 29.511 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.526 29.630 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.318 29.608 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.504 28.254 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.558 27.506 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.125 26.866 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.829 28.180 -1.430 1.00 0.00 H new ATOM 1306 N ARG A 88 -19.825 25.556 1.451 1.00 0.00 N ATOM 1307 CA ARG A 88 -21.251 25.840 1.387 1.00 0.00 C ATOM 1308 C ARG A 88 -21.878 25.121 0.199 1.00 0.00 C ATOM 1309 O ARG A 88 -22.830 24.361 0.350 1.00 0.00 O ATOM 1310 CB ARG A 88 -21.513 27.343 1.261 1.00 0.00 C ATOM 1311 CG ARG A 88 -22.990 27.682 1.170 1.00 0.00 C ATOM 1312 CD ARG A 88 -23.214 29.158 0.896 1.00 0.00 C ATOM 1313 NE ARG A 88 -24.635 29.490 0.829 1.00 0.00 N ATOM 1314 CZ ARG A 88 -25.203 30.480 1.518 1.00 0.00 C ATOM 1315 NH1 ARG A 88 -24.480 31.205 2.363 1.00 0.00 N ATOM 1316 NH2 ARG A 88 -26.494 30.738 1.376 1.00 0.00 N ATOM 0 H ARG A 88 -19.476 25.005 0.667 1.00 0.00 H new ATOM 0 HA ARG A 88 -21.701 25.483 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -21.081 27.855 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -21.004 27.722 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -23.450 27.091 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -23.484 27.406 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -22.740 29.749 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -22.733 29.430 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 88 -25.229 28.930 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -23.487 31.005 2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -24.917 31.962 2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -27.059 30.178 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -26.924 31.497 1.905 1.00 0.00 H new ATOM 1330 N MET A 89 -21.335 25.373 -0.986 1.00 0.00 N ATOM 1331 CA MET A 89 -21.866 24.784 -2.209 1.00 0.00 C ATOM 1332 C MET A 89 -20.757 24.589 -3.232 1.00 0.00 C ATOM 1333 O MET A 89 -20.358 23.464 -3.522 1.00 0.00 O ATOM 1334 CB MET A 89 -22.965 25.679 -2.792 1.00 0.00 C ATOM 1335 CG MET A 89 -23.611 25.124 -4.055 1.00 0.00 C ATOM 1336 SD MET A 89 -24.783 26.280 -4.794 1.00 0.00 S ATOM 1337 CE MET A 89 -25.960 26.479 -3.460 1.00 0.00 C ATOM 0 H MET A 89 -20.528 25.981 -1.126 1.00 0.00 H new ATOM 0 HA MET A 89 -22.292 23.810 -1.967 1.00 0.00 H new ATOM 0 HB2 MET A 89 -23.737 25.828 -2.037 1.00 0.00 H new ATOM 0 HB3 MET A 89 -22.542 26.659 -3.013 1.00 0.00 H new ATOM 0 HG2 MET A 89 -22.835 24.884 -4.781 1.00 0.00 H new ATOM 0 HG3 MET A 89 -24.125 24.192 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 89 -26.870 26.941 -3.843 1.00 0.00 H new ATOM 0 HE2 MET A 89 -26.199 25.503 -3.037 1.00 0.00 H new ATOM 0 HE3 MET A 89 -25.529 27.114 -2.686 1.00 0.00 H new ATOM 1347 N GLU A 90 -20.258 25.692 -3.772 1.00 0.00 N ATOM 1348 CA GLU A 90 -19.189 25.641 -4.758 1.00 0.00 C ATOM 1349 C GLU A 90 -18.227 26.805 -4.535 1.00 0.00 C ATOM 1350 O GLU A 90 -17.131 26.621 -4.004 1.00 0.00 O ATOM 1351 CB GLU A 90 -19.783 25.670 -6.178 1.00 0.00 C ATOM 1352 CG GLU A 90 -18.837 25.191 -7.277 1.00 0.00 C ATOM 1353 CD GLU A 90 -17.693 26.145 -7.558 1.00 0.00 C ATOM 1354 OE1 GLU A 90 -17.928 27.192 -8.204 1.00 0.00 O ATOM 1355 OE2 GLU A 90 -16.551 25.842 -7.157 1.00 0.00 O ATOM 0 H GLU A 90 -20.577 26.634 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 90 -18.631 24.712 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.680 25.051 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.095 26.689 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -18.428 24.221 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.407 25.041 -8.194 1.00 0.00 H new ATOM 1362 N LYS A 91 -18.649 28.009 -4.907 1.00 0.00 N ATOM 1363 CA LYS A 91 -17.808 29.187 -4.752 1.00 0.00 C ATOM 1364 C LYS A 91 -18.653 30.448 -4.663 1.00 0.00 C ATOM 1365 O LYS A 91 -19.085 31.001 -5.674 1.00 0.00 O ATOM 1366 CB LYS A 91 -16.813 29.297 -5.912 1.00 0.00 C ATOM 1367 CG LYS A 91 -15.908 30.518 -5.833 1.00 0.00 C ATOM 1368 CD LYS A 91 -14.905 30.577 -6.981 1.00 0.00 C ATOM 1369 CE LYS A 91 -15.576 30.811 -8.331 1.00 0.00 C ATOM 1370 NZ LYS A 91 -16.252 29.592 -8.860 1.00 0.00 N ATOM 0 H LYS A 91 -19.565 28.193 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.249 29.081 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.195 28.399 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.366 29.327 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.519 31.420 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.370 30.507 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.188 31.376 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.342 29.644 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.308 31.613 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.828 31.147 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.009 29.468 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.937 28.759 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.282 29.697 -8.764 1.00 0.00 H new ATOM 1384 N ASN A 92 -18.908 30.882 -3.444 1.00 0.00 N ATOM 1385 CA ASN A 92 -19.617 32.128 -3.214 1.00 0.00 C ATOM 1386 C ASN A 92 -18.644 33.295 -3.336 1.00 0.00 C ATOM 1387 O ASN A 92 -17.504 33.205 -2.878 1.00 0.00 O ATOM 1388 CB ASN A 92 -20.295 32.112 -1.838 1.00 0.00 C ATOM 1389 CG ASN A 92 -19.334 31.806 -0.702 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -19.051 30.641 -0.413 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -18.854 32.842 -0.032 1.00 0.00 N ATOM 0 H ASN A 92 -18.634 30.389 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.398 32.245 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.763 33.080 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.092 31.369 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.225 32.692 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -19.114 33.790 -0.304 1.00 0.00 H new ATOM 1398 N GLY A 93 -19.087 34.380 -3.966 1.00 0.00 N ATOM 1399 CA GLY A 93 -18.202 35.502 -4.249 1.00 0.00 C ATOM 1400 C GLY A 93 -17.963 36.404 -3.052 1.00 0.00 C ATOM 1401 O GLY A 93 -18.008 37.629 -3.173 1.00 0.00 O ATOM 0 H GLY A 93 -20.047 34.504 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -17.244 35.119 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.627 36.093 -5.060 1.00 0.00 H new ATOM 1405 N MET A 94 -17.709 35.803 -1.901 1.00 0.00 N ATOM 1406 CA MET A 94 -17.392 36.553 -0.696 1.00 0.00 C ATOM 1407 C MET A 94 -16.032 36.132 -0.165 1.00 0.00 C ATOM 1408 O MET A 94 -15.753 34.940 -0.030 1.00 0.00 O ATOM 1409 CB MET A 94 -18.460 36.332 0.379 1.00 0.00 C ATOM 1410 CG MET A 94 -19.856 36.721 -0.069 1.00 0.00 C ATOM 1411 SD MET A 94 -19.972 38.450 -0.564 1.00 0.00 S ATOM 1412 CE MET A 94 -21.570 38.444 -1.369 1.00 0.00 C ATOM 0 H MET A 94 -17.716 34.791 -1.775 1.00 0.00 H new ATOM 0 HA MET A 94 -17.369 37.613 -0.948 1.00 0.00 H new ATOM 0 HB2 MET A 94 -18.460 35.282 0.670 1.00 0.00 H new ATOM 0 HB3 MET A 94 -18.197 36.909 1.266 1.00 0.00 H new ATOM 0 HG2 MET A 94 -20.155 36.088 -0.904 1.00 0.00 H new ATOM 0 HG3 MET A 94 -20.559 36.532 0.742 1.00 0.00 H new ATOM 0 HE1 MET A 94 -21.796 39.445 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 94 -21.553 37.746 -2.206 1.00 0.00 H new ATOM 0 HE3 MET A 94 -22.335 38.137 -0.656 1.00 0.00 H new ATOM 1422 N ARG A 95 -15.184 37.105 0.117 1.00 0.00 N ATOM 1423 CA ARG A 95 -13.875 36.828 0.689 1.00 0.00 C ATOM 1424 C ARG A 95 -14.025 36.365 2.132 1.00 0.00 C ATOM 1425 O ARG A 95 -14.333 37.159 3.022 1.00 0.00 O ATOM 1426 CB ARG A 95 -12.981 38.075 0.606 1.00 0.00 C ATOM 1427 CG ARG A 95 -11.649 37.951 1.338 1.00 0.00 C ATOM 1428 CD ARG A 95 -10.897 36.679 0.963 1.00 0.00 C ATOM 1429 NE ARG A 95 -10.641 36.573 -0.472 1.00 0.00 N ATOM 1430 CZ ARG A 95 -9.586 35.941 -0.985 1.00 0.00 C ATOM 1431 NH1 ARG A 95 -8.636 35.470 -0.182 1.00 0.00 N ATOM 1432 NH2 ARG A 95 -9.472 35.811 -2.303 1.00 0.00 N ATOM 0 H ARG A 95 -15.377 38.094 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 95 -13.400 36.031 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -12.785 38.296 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -13.527 38.925 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.029 38.818 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.826 37.962 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.948 36.652 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.473 35.813 1.289 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.305 37.005 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.715 35.592 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.829 34.986 -0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.190 36.194 -2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.666 35.328 -2.700 1.00 0.00 H new ATOM 1446 N TYR A 96 -13.822 35.073 2.353 1.00 0.00 N ATOM 1447 CA TYR A 96 -13.924 34.504 3.681 1.00 0.00 C ATOM 1448 C TYR A 96 -12.626 34.746 4.424 1.00 0.00 C ATOM 1449 O TYR A 96 -11.549 34.499 3.884 1.00 0.00 O ATOM 1450 CB TYR A 96 -14.226 33.003 3.599 1.00 0.00 C ATOM 1451 CG TYR A 96 -14.380 32.333 4.948 1.00 0.00 C ATOM 1452 CD1 TYR A 96 -15.593 32.362 5.623 1.00 0.00 C ATOM 1453 CD2 TYR A 96 -13.313 31.673 5.544 1.00 0.00 C ATOM 1454 CE1 TYR A 96 -15.738 31.757 6.856 1.00 0.00 C ATOM 1455 CE2 TYR A 96 -13.450 31.064 6.778 1.00 0.00 C ATOM 1456 CZ TYR A 96 -14.665 31.108 7.429 1.00 0.00 C ATOM 1457 OH TYR A 96 -14.803 30.508 8.661 1.00 0.00 O ATOM 0 H TYR A 96 -13.585 34.401 1.623 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.743 34.982 4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -15.141 32.857 3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -13.424 32.511 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -16.437 32.866 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.361 31.635 5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -16.688 31.792 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -12.610 30.557 7.229 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.953 30.094 8.920 1.00 0.00 H new ATOM 1467 N ALA A 97 -12.730 35.257 5.639 1.00 0.00 N ATOM 1468 CA ALA A 97 -11.564 35.495 6.470 1.00 0.00 C ATOM 1469 C ALA A 97 -11.089 34.189 7.087 1.00 0.00 C ATOM 1470 O ALA A 97 -11.712 33.666 8.010 1.00 0.00 O ATOM 1471 CB ALA A 97 -11.879 36.517 7.551 1.00 0.00 C ATOM 0 H ALA A 97 -13.616 35.516 6.073 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.765 35.897 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.993 36.683 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.180 37.456 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.690 36.146 8.178 1.00 0.00 H new ATOM 1477 N PRO A 98 -9.978 33.641 6.579 1.00 0.00 N ATOM 1478 CA PRO A 98 -9.463 32.352 7.008 1.00 0.00 C ATOM 1479 C PRO A 98 -8.439 32.504 8.128 1.00 0.00 C ATOM 1480 O PRO A 98 -7.667 31.588 8.423 1.00 0.00 O ATOM 1481 CB PRO A 98 -8.817 31.852 5.719 1.00 0.00 C ATOM 1482 CG PRO A 98 -8.232 33.084 5.107 1.00 0.00 C ATOM 1483 CD PRO A 98 -9.113 34.236 5.540 1.00 0.00 C ATOM 0 HA PRO A 98 -10.216 31.681 7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.050 31.104 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.550 31.388 5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.205 33.234 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.205 33.003 4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.525 35.064 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.698 34.628 4.708 1.00 0.00 H new ATOM 1491 N GLY A 99 -8.457 33.673 8.748 1.00 0.00 N ATOM 1492 CA GLY A 99 -7.497 34.012 9.772 1.00 0.00 C ATOM 1493 C GLY A 99 -7.175 35.487 9.731 1.00 0.00 C ATOM 1494 O GLY A 99 -6.152 35.893 9.179 1.00 0.00 O ATOM 0 H GLY A 99 -9.137 34.408 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.894 33.748 10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.586 33.431 9.630 1.00 0.00 H new ATOM 1498 N GLU A 100 -8.068 36.295 10.282 1.00 0.00 N ATOM 1499 CA GLU A 100 -7.925 37.740 10.233 1.00 0.00 C ATOM 1500 C GLU A 100 -8.227 38.345 11.599 1.00 0.00 C ATOM 1501 O GLU A 100 -9.422 38.546 11.910 1.00 0.00 O ATOM 1502 CB GLU A 100 -8.865 38.322 9.174 1.00 0.00 C ATOM 1503 CG GLU A 100 -8.712 39.820 8.965 1.00 0.00 C ATOM 1504 CD GLU A 100 -9.709 40.370 7.969 1.00 0.00 C ATOM 1505 OE1 GLU A 100 -10.837 40.715 8.382 1.00 0.00 O ATOM 1506 OE2 GLU A 100 -9.375 40.445 6.769 1.00 0.00 O ATOM 1507 OXT GLU A 100 -7.271 38.596 12.359 1.00 0.00 O ATOM 0 H GLU A 100 -8.903 35.971 10.770 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.898 37.985 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.687 37.814 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.895 38.109 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.837 40.331 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.701 40.034 8.618 1.00 0.00 H new TER 1514 GLU A 100