USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 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 60 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.6!) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.00101 USER MOD Set 2.1: A 13 THR OG1 : rot 141:sc= 1.16 USER MOD Set 2.2: A 36 GLN : amide:sc= 0.531 K(o=1.7,f=0.19) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.0414 (180deg=-0.252) USER MOD Single : A 3 HIS : no HD1:sc=-0.00487 X(o=-0.0049,f=-0.0049) USER MOD Single : A 4 HIS : no HE2:sc= -0.56 K(o=-0.56,f=-2.1) USER MOD Single : A 5 HIS : no HD1:sc= -0.0969 X(o=-0.097,f=-0.52) USER MOD Single : A 6 HIS : no HE2:sc= 0.407 K(o=0.41,f=-1.3) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00048) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 11 MET CE :methyl 136:sc= -0.0913 (180deg=-0.625) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= -0.96 (180deg=-1.04) USER MOD Single : A 25 ASN : amide:sc= -0.776 K(o=-0.78,f=0) USER MOD Single : A 29 MET CE :methyl 150:sc= -0.114 (180deg=-1.24) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= -0.0146 (180deg=-0.177) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= 1.21 (180deg=0.427) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.014) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -46.793 9.916 -15.887 1.00 0.00 N ATOM 2 CA MET A 1 -46.173 9.048 -14.846 1.00 52.33 C ATOM 3 C MET A 1 -44.945 8.316 -15.405 1.00 53.14 C ATOM 4 O MET A 1 -44.626 8.448 -16.588 1.00 20.44 O ATOM 5 CB MET A 1 -47.196 8.026 -14.326 1.00 3.33 C ATOM 6 CG MET A 1 -48.467 8.654 -13.770 1.00 3.23 C ATOM 7 SD MET A 1 -49.623 7.430 -13.122 1.00 32.23 S ATOM 8 CE MET A 1 -50.999 8.478 -12.645 1.00 4.14 C ATOM 0 H1 MET A 1 -47.032 10.839 -15.472 1.00 0.00 H new ATOM 0 H2 MET A 1 -46.122 10.052 -16.670 1.00 0.00 H new ATOM 0 H3 MET A 1 -47.658 9.464 -16.246 1.00 0.00 H new ATOM 0 HA MET A 1 -45.852 9.685 -14.022 1.00 52.33 H new ATOM 0 HB2 MET A 1 -47.462 7.348 -15.137 1.00 3.33 H new ATOM 0 HB3 MET A 1 -46.729 7.423 -13.547 1.00 3.33 H new ATOM 0 HG2 MET A 1 -48.204 9.355 -12.978 1.00 3.23 H new ATOM 0 HG3 MET A 1 -48.956 9.230 -14.555 1.00 3.23 H new ATOM 0 HE1 MET A 1 -51.796 7.864 -12.225 1.00 4.14 H new ATOM 0 HE2 MET A 1 -50.665 9.199 -11.899 1.00 4.14 H new ATOM 0 HE3 MET A 1 -51.373 9.009 -13.521 1.00 4.14 H new ATOM 20 N GLY A 2 -44.245 7.562 -14.559 1.00 61.22 N ATOM 21 CA GLY A 2 -43.113 6.769 -15.035 1.00 65.30 C ATOM 22 C GLY A 2 -41.977 6.640 -14.024 1.00 73.23 C ATOM 23 O GLY A 2 -41.794 7.500 -13.158 1.00 23.44 O ATOM 0 H GLY A 2 -44.436 7.483 -13.560 1.00 61.22 H new ATOM 0 HA2 GLY A 2 -43.466 5.772 -15.298 1.00 65.30 H new ATOM 0 HA3 GLY A 2 -42.724 7.221 -15.947 1.00 65.30 H new ATOM 27 N HIS A 3 -41.213 5.554 -14.133 1.00 63.25 N ATOM 28 CA HIS A 3 -40.050 5.321 -13.269 1.00 61.53 C ATOM 29 C HIS A 3 -38.837 4.854 -14.093 1.00 34.45 C ATOM 30 O HIS A 3 -38.841 3.768 -14.674 1.00 11.42 O ATOM 31 CB HIS A 3 -40.395 4.301 -12.175 1.00 21.43 C ATOM 32 CG HIS A 3 -41.471 4.781 -11.246 1.00 63.35 C ATOM 33 ND1 HIS A 3 -42.780 4.361 -11.322 1.00 51.35 N ATOM 34 CD2 HIS A 3 -41.426 5.665 -10.221 1.00 23.15 C ATOM 35 CE1 HIS A 3 -43.490 4.960 -10.390 1.00 42.35 C ATOM 36 NE2 HIS A 3 -42.694 5.758 -9.706 1.00 71.30 N ATOM 0 H HIS A 3 -41.378 4.815 -14.816 1.00 63.25 H new ATOM 0 HA HIS A 3 -39.783 6.263 -12.790 1.00 61.53 H new ATOM 0 HB2 HIS A 3 -40.714 3.369 -12.642 1.00 21.43 H new ATOM 0 HB3 HIS A 3 -39.498 4.077 -11.598 1.00 21.43 H new ATOM 0 HD2 HIS A 3 -40.553 6.198 -9.873 1.00 23.15 H new ATOM 0 HE1 HIS A 3 -44.547 4.821 -10.215 1.00 42.35 H new ATOM 0 HE2 HIS A 3 -42.975 6.348 -8.923 1.00 71.30 H new ATOM 45 N HIS A 4 -37.796 5.681 -14.124 1.00 44.53 N ATOM 46 CA HIS A 4 -36.635 5.458 -15.000 1.00 2.32 C ATOM 47 C HIS A 4 -35.578 4.524 -14.377 1.00 22.45 C ATOM 48 O HIS A 4 -35.130 4.735 -13.248 1.00 65.12 O ATOM 49 CB HIS A 4 -35.988 6.805 -15.367 1.00 41.44 C ATOM 50 CG HIS A 4 -35.703 7.684 -14.183 1.00 14.02 C ATOM 51 ND1 HIS A 4 -34.704 7.425 -13.267 1.00 5.33 N ATOM 52 CD2 HIS A 4 -36.310 8.819 -13.755 1.00 70.33 C ATOM 53 CE1 HIS A 4 -34.713 8.352 -12.333 1.00 0.14 C ATOM 54 NE2 HIS A 4 -35.674 9.209 -12.605 1.00 21.54 N ATOM 0 H HIS A 4 -37.727 6.521 -13.549 1.00 44.53 H new ATOM 0 HA HIS A 4 -37.008 4.962 -15.896 1.00 2.32 H new ATOM 0 HB2 HIS A 4 -35.056 6.616 -15.900 1.00 41.44 H new ATOM 0 HB3 HIS A 4 -36.646 7.338 -16.053 1.00 41.44 H new ATOM 0 HD1 HIS A 4 -34.058 6.637 -13.308 1.00 5.33 H new ATOM 0 HD2 HIS A 4 -37.139 9.321 -14.231 1.00 70.33 H new ATOM 0 HE1 HIS A 4 -34.045 8.401 -11.486 1.00 0.14 H new ATOM 63 N HIS A 5 -35.191 3.491 -15.129 1.00 24.21 N ATOM 64 CA HIS A 5 -34.078 2.609 -14.751 1.00 55.42 C ATOM 65 C HIS A 5 -32.775 3.089 -15.419 1.00 64.23 C ATOM 66 O HIS A 5 -32.767 3.427 -16.604 1.00 74.54 O ATOM 67 CB HIS A 5 -34.388 1.161 -15.174 1.00 5.05 C ATOM 68 CG HIS A 5 -33.354 0.149 -14.761 1.00 12.44 C ATOM 69 ND1 HIS A 5 -32.160 -0.028 -15.427 1.00 21.12 N ATOM 70 CD2 HIS A 5 -33.351 -0.758 -13.752 1.00 52.41 C ATOM 71 CE1 HIS A 5 -31.474 -0.995 -14.853 1.00 5.43 C ATOM 72 NE2 HIS A 5 -32.171 -1.455 -13.836 1.00 51.33 N ATOM 0 H HIS A 5 -35.636 3.241 -16.012 1.00 24.21 H new ATOM 0 HA HIS A 5 -33.951 2.641 -13.669 1.00 55.42 H new ATOM 0 HB2 HIS A 5 -35.349 0.871 -14.750 1.00 5.05 H new ATOM 0 HB3 HIS A 5 -34.495 1.129 -16.258 1.00 5.05 H new ATOM 0 HD2 HIS A 5 -34.131 -0.904 -13.020 1.00 52.41 H new ATOM 0 HE1 HIS A 5 -30.503 -1.350 -15.165 1.00 5.43 H new ATOM 0 HE2 HIS A 5 -31.882 -2.208 -13.211 1.00 51.33 H new ATOM 81 N HIS A 6 -31.679 3.113 -14.667 1.00 60.32 N ATOM 82 CA HIS A 6 -30.389 3.583 -15.195 1.00 25.32 C ATOM 83 C HIS A 6 -29.313 2.490 -15.091 1.00 35.32 C ATOM 84 O HIS A 6 -29.592 1.367 -14.673 1.00 60.01 O ATOM 85 CB HIS A 6 -29.932 4.841 -14.440 1.00 62.32 C ATOM 86 CG HIS A 6 -29.501 4.578 -13.025 1.00 13.33 C ATOM 87 ND1 HIS A 6 -28.177 4.509 -12.644 1.00 40.24 N ATOM 88 CD2 HIS A 6 -30.222 4.363 -11.898 1.00 10.42 C ATOM 89 CE1 HIS A 6 -28.104 4.261 -11.352 1.00 5.30 C ATOM 90 NE2 HIS A 6 -29.327 4.169 -10.876 1.00 74.54 N ATOM 0 H HIS A 6 -31.651 2.815 -13.692 1.00 60.32 H new ATOM 0 HA HIS A 6 -30.527 3.826 -16.249 1.00 25.32 H new ATOM 0 HB2 HIS A 6 -29.105 5.298 -14.983 1.00 62.32 H new ATOM 0 HB3 HIS A 6 -30.747 5.565 -14.433 1.00 62.32 H new ATOM 0 HD1 HIS A 6 -27.378 4.631 -13.266 1.00 40.24 H new ATOM 0 HD2 HIS A 6 -31.299 4.347 -11.819 1.00 10.42 H new ATOM 0 HE1 HIS A 6 -27.194 4.152 -10.780 1.00 5.30 H new ATOM 99 N HIS A 7 -28.086 2.825 -15.478 1.00 51.45 N ATOM 100 CA HIS A 7 -26.959 1.890 -15.389 1.00 11.33 C ATOM 101 C HIS A 7 -25.819 2.452 -14.524 1.00 14.31 C ATOM 102 O HIS A 7 -25.822 3.630 -14.154 1.00 10.23 O ATOM 103 CB HIS A 7 -26.426 1.569 -16.792 1.00 33.32 C ATOM 104 CG HIS A 7 -27.361 0.744 -17.624 1.00 51.12 C ATOM 105 ND1 HIS A 7 -28.090 1.256 -18.675 1.00 32.22 N ATOM 106 CD2 HIS A 7 -27.672 -0.572 -17.564 1.00 42.15 C ATOM 107 CE1 HIS A 7 -28.806 0.297 -19.220 1.00 23.05 C ATOM 108 NE2 HIS A 7 -28.572 -0.822 -18.566 1.00 74.40 N ATOM 0 H HIS A 7 -27.842 3.739 -15.858 1.00 51.45 H new ATOM 0 HA HIS A 7 -27.327 0.979 -14.916 1.00 11.33 H new ATOM 0 HB2 HIS A 7 -26.220 2.503 -17.314 1.00 33.32 H new ATOM 0 HB3 HIS A 7 -25.477 1.040 -16.697 1.00 33.32 H new ATOM 0 HD2 HIS A 7 -27.283 -1.291 -16.858 1.00 42.15 H new ATOM 0 HE1 HIS A 7 -29.473 0.408 -20.062 1.00 23.05 H new ATOM 0 HE2 HIS A 7 -28.993 -1.728 -18.772 1.00 74.40 H new ATOM 117 N HIS A 8 -24.859 1.591 -14.190 1.00 52.22 N ATOM 118 CA HIS A 8 -23.640 2.006 -13.487 1.00 60.23 C ATOM 119 C HIS A 8 -22.433 1.176 -13.957 1.00 63.30 C ATOM 120 O HIS A 8 -22.200 0.063 -13.477 1.00 72.44 O ATOM 121 CB HIS A 8 -23.817 1.875 -11.968 1.00 42.45 C ATOM 122 CG HIS A 8 -22.645 2.387 -11.185 1.00 22.33 C ATOM 123 ND1 HIS A 8 -22.492 3.711 -10.843 1.00 15.11 N ATOM 124 CD2 HIS A 8 -21.558 1.747 -10.689 1.00 12.03 C ATOM 125 CE1 HIS A 8 -21.365 3.865 -10.172 1.00 44.43 C ATOM 126 NE2 HIS A 8 -20.782 2.691 -10.066 1.00 13.34 N ATOM 0 H HIS A 8 -24.900 0.593 -14.396 1.00 52.22 H new ATOM 0 HA HIS A 8 -23.453 3.054 -13.724 1.00 60.23 H new ATOM 0 HB2 HIS A 8 -24.712 2.419 -11.666 1.00 42.45 H new ATOM 0 HB3 HIS A 8 -23.981 0.827 -11.718 1.00 42.45 H new ATOM 0 HD2 HIS A 8 -21.343 0.692 -10.769 1.00 12.03 H new ATOM 0 HE1 HIS A 8 -20.987 4.796 -9.778 1.00 44.43 H new ATOM 0 HE2 HIS A 8 -19.895 2.511 -9.596 1.00 13.34 H new ATOM 135 N SER A 9 -21.673 1.726 -14.897 1.00 62.14 N ATOM 136 CA SER A 9 -20.546 1.013 -15.520 1.00 32.21 C ATOM 137 C SER A 9 -19.290 1.013 -14.640 1.00 70.45 C ATOM 138 O SER A 9 -19.226 1.691 -13.615 1.00 24.11 O ATOM 139 CB SER A 9 -20.218 1.647 -16.878 1.00 35.04 C ATOM 140 OG SER A 9 -21.346 1.626 -17.738 1.00 74.22 O ATOM 0 H SER A 9 -21.813 2.672 -15.252 1.00 62.14 H new ATOM 0 HA SER A 9 -20.855 -0.024 -15.649 1.00 32.21 H new ATOM 0 HB2 SER A 9 -19.887 2.675 -16.732 1.00 35.04 H new ATOM 0 HB3 SER A 9 -19.392 1.109 -17.344 1.00 35.04 H new ATOM 0 HG SER A 9 -21.111 2.037 -18.596 1.00 74.22 H new ATOM 146 N HIS A 10 -18.290 0.237 -15.057 1.00 23.11 N ATOM 147 CA HIS A 10 -16.995 0.183 -14.367 1.00 21.45 C ATOM 148 C HIS A 10 -15.873 -0.204 -15.347 1.00 15.01 C ATOM 149 O HIS A 10 -16.114 -0.900 -16.334 1.00 20.25 O ATOM 150 CB HIS A 10 -17.044 -0.824 -13.207 1.00 21.44 C ATOM 151 CG HIS A 10 -17.271 -2.241 -13.645 1.00 14.41 C ATOM 152 ND1 HIS A 10 -18.517 -2.740 -13.950 1.00 3.32 N ATOM 153 CD2 HIS A 10 -16.404 -3.265 -13.836 1.00 23.14 C ATOM 154 CE1 HIS A 10 -18.409 -4.003 -14.305 1.00 14.53 C ATOM 155 NE2 HIS A 10 -17.141 -4.348 -14.246 1.00 71.31 N ATOM 0 H HIS A 10 -18.350 -0.369 -15.876 1.00 23.11 H new ATOM 0 HA HIS A 10 -16.784 1.174 -13.966 1.00 21.45 H new ATOM 0 HB2 HIS A 10 -16.107 -0.771 -12.652 1.00 21.44 H new ATOM 0 HB3 HIS A 10 -17.839 -0.534 -12.520 1.00 21.44 H new ATOM 0 HD2 HIS A 10 -15.334 -3.235 -13.693 1.00 23.14 H new ATOM 0 HE1 HIS A 10 -19.225 -4.648 -14.596 1.00 14.53 H new ATOM 0 HE2 HIS A 10 -16.766 -5.270 -14.469 1.00 71.31 H new ATOM 164 N MET A 11 -14.649 0.238 -15.072 1.00 1.00 N ATOM 165 CA MET A 11 -13.495 -0.084 -15.927 1.00 52.41 C ATOM 166 C MET A 11 -12.404 -0.827 -15.139 1.00 51.34 C ATOM 167 O MET A 11 -12.059 -0.440 -14.022 1.00 61.32 O ATOM 168 CB MET A 11 -12.914 1.199 -16.536 1.00 52.42 C ATOM 169 CG MET A 11 -13.905 1.974 -17.397 1.00 53.34 C ATOM 170 SD MET A 11 -13.174 3.446 -18.145 1.00 60.15 S ATOM 171 CE MET A 11 -11.935 2.709 -19.213 1.00 64.12 C ATOM 0 H MET A 11 -14.424 0.820 -14.265 1.00 1.00 H new ATOM 0 HA MET A 11 -13.844 -0.739 -16.725 1.00 52.41 H new ATOM 0 HB2 MET A 11 -12.563 1.845 -15.732 1.00 52.42 H new ATOM 0 HB3 MET A 11 -12.045 0.942 -17.141 1.00 52.42 H new ATOM 0 HG2 MET A 11 -14.285 1.322 -18.184 1.00 53.34 H new ATOM 0 HG3 MET A 11 -14.759 2.267 -16.786 1.00 53.34 H new ATOM 0 HE1 MET A 11 -11.955 3.200 -20.186 1.00 64.12 H new ATOM 0 HE2 MET A 11 -10.949 2.832 -18.765 1.00 64.12 H new ATOM 0 HE3 MET A 11 -12.147 1.647 -19.338 1.00 64.12 H new ATOM 181 N SER A 12 -11.875 -1.897 -15.725 1.00 14.30 N ATOM 182 CA SER A 12 -10.787 -2.665 -15.105 1.00 3.02 C ATOM 183 C SER A 12 -9.459 -1.896 -15.174 1.00 32.43 C ATOM 184 O SER A 12 -8.970 -1.582 -16.261 1.00 60.33 O ATOM 185 CB SER A 12 -10.632 -4.028 -15.799 1.00 54.32 C ATOM 186 OG SER A 12 -11.840 -4.776 -15.751 1.00 61.11 O ATOM 0 H SER A 12 -12.179 -2.257 -16.630 1.00 14.30 H new ATOM 0 HA SER A 12 -11.043 -2.821 -14.057 1.00 3.02 H new ATOM 0 HB2 SER A 12 -10.337 -3.878 -16.837 1.00 54.32 H new ATOM 0 HB3 SER A 12 -9.833 -4.593 -15.319 1.00 54.32 H new ATOM 0 HG SER A 12 -11.710 -5.636 -16.202 1.00 61.11 H new ATOM 192 N THR A 13 -8.882 -1.587 -14.012 1.00 23.02 N ATOM 193 CA THR A 13 -7.614 -0.844 -13.946 1.00 3.30 C ATOM 194 C THR A 13 -6.398 -1.773 -14.135 1.00 2.03 C ATOM 195 O THR A 13 -6.308 -2.828 -13.503 1.00 3.00 O ATOM 196 CB THR A 13 -7.476 -0.086 -12.601 1.00 1.20 C ATOM 197 OG1 THR A 13 -7.625 -0.996 -11.499 1.00 72.31 O ATOM 198 CG2 THR A 13 -8.517 1.026 -12.488 1.00 21.31 C ATOM 0 H THR A 13 -9.269 -1.838 -13.102 1.00 23.02 H new ATOM 0 HA THR A 13 -7.632 -0.123 -14.763 1.00 3.30 H new ATOM 0 HB THR A 13 -6.483 0.362 -12.571 1.00 1.20 H new ATOM 0 HG1 THR A 13 -6.986 -0.763 -10.793 1.00 72.31 H new ATOM 0 HG21 THR A 13 -8.397 1.541 -11.535 1.00 21.31 H new ATOM 0 HG22 THR A 13 -8.381 1.736 -13.304 1.00 21.31 H new ATOM 0 HG23 THR A 13 -9.517 0.596 -12.545 1.00 21.31 H new ATOM 206 N PRO A 14 -5.443 -1.392 -15.014 1.00 63.30 N ATOM 207 CA PRO A 14 -4.265 -2.229 -15.337 1.00 73.14 C ATOM 208 C PRO A 14 -3.240 -2.330 -14.190 1.00 73.13 C ATOM 209 O PRO A 14 -3.133 -1.435 -13.345 1.00 54.23 O ATOM 210 CB PRO A 14 -3.651 -1.507 -16.544 1.00 71.44 C ATOM 211 CG PRO A 14 -4.053 -0.082 -16.366 1.00 24.43 C ATOM 212 CD PRO A 14 -5.433 -0.119 -15.763 1.00 53.30 C ATOM 0 HA PRO A 14 -4.552 -3.264 -15.524 1.00 73.14 H new ATOM 0 HB2 PRO A 14 -2.567 -1.615 -16.562 1.00 71.44 H new ATOM 0 HB3 PRO A 14 -4.028 -1.912 -17.483 1.00 71.44 H new ATOM 0 HG2 PRO A 14 -3.355 0.443 -15.714 1.00 24.43 H new ATOM 0 HG3 PRO A 14 -4.057 0.446 -17.320 1.00 24.43 H new ATOM 0 HD2 PRO A 14 -5.609 0.734 -15.108 1.00 53.30 H new ATOM 0 HD3 PRO A 14 -6.208 -0.097 -16.530 1.00 53.30 H new ATOM 220 N LEU A 15 -2.473 -3.421 -14.185 1.00 11.13 N ATOM 221 CA LEU A 15 -1.470 -3.680 -13.137 1.00 3.21 C ATOM 222 C LEU A 15 -0.042 -3.779 -13.711 1.00 71.00 C ATOM 223 O LEU A 15 0.170 -3.621 -14.915 1.00 5.11 O ATOM 224 CB LEU A 15 -1.846 -4.964 -12.364 1.00 2.32 C ATOM 225 CG LEU A 15 -2.226 -6.200 -13.218 1.00 52.35 C ATOM 226 CD1 LEU A 15 -1.017 -6.769 -13.962 1.00 11.44 C ATOM 227 CD2 LEU A 15 -2.870 -7.277 -12.342 1.00 64.11 C ATOM 0 H LEU A 15 -2.524 -4.148 -14.899 1.00 11.13 H new ATOM 0 HA LEU A 15 -1.472 -2.833 -12.451 1.00 3.21 H new ATOM 0 HB2 LEU A 15 -1.006 -5.236 -11.726 1.00 2.32 H new ATOM 0 HB3 LEU A 15 -2.684 -4.733 -11.706 1.00 2.32 H new ATOM 0 HG LEU A 15 -2.948 -5.873 -13.966 1.00 52.35 H new ATOM 0 HD11 LEU A 15 -1.325 -7.634 -14.549 1.00 11.44 H new ATOM 0 HD12 LEU A 15 -0.607 -6.008 -14.626 1.00 11.44 H new ATOM 0 HD13 LEU A 15 -0.256 -7.071 -13.242 1.00 11.44 H new ATOM 0 HD21 LEU A 15 -3.131 -8.138 -12.957 1.00 64.11 H new ATOM 0 HD22 LEU A 15 -2.167 -7.584 -11.567 1.00 64.11 H new ATOM 0 HD23 LEU A 15 -3.771 -6.877 -11.877 1.00 64.11 H new ATOM 239 N THR A 16 0.932 -4.046 -12.838 1.00 75.22 N ATOM 240 CA THR A 16 2.335 -4.203 -13.252 1.00 23.11 C ATOM 241 C THR A 16 3.093 -5.140 -12.295 1.00 1.02 C ATOM 242 O THR A 16 2.550 -5.561 -11.269 1.00 11.12 O ATOM 243 CB THR A 16 3.069 -2.837 -13.329 1.00 64.14 C ATOM 244 OG1 THR A 16 4.384 -3.008 -13.883 1.00 2.30 O ATOM 245 CG2 THR A 16 3.172 -2.188 -11.950 1.00 74.51 C ATOM 0 H THR A 16 0.778 -4.159 -11.836 1.00 75.22 H new ATOM 0 HA THR A 16 2.321 -4.644 -14.249 1.00 23.11 H new ATOM 0 HB THR A 16 2.487 -2.181 -13.977 1.00 64.14 H new ATOM 0 HG1 THR A 16 4.836 -2.139 -13.928 1.00 2.30 H new ATOM 0 HG21 THR A 16 3.691 -1.233 -12.035 1.00 74.51 H new ATOM 0 HG22 THR A 16 2.172 -2.023 -11.550 1.00 74.51 H new ATOM 0 HG23 THR A 16 3.727 -2.844 -11.280 1.00 74.51 H new ATOM 253 N GLY A 17 4.340 -5.465 -12.635 1.00 40.41 N ATOM 254 CA GLY A 17 5.133 -6.396 -11.833 1.00 5.04 C ATOM 255 C GLY A 17 5.436 -5.905 -10.418 1.00 3.23 C ATOM 256 O GLY A 17 5.782 -4.740 -10.209 1.00 53.30 O ATOM 0 H GLY A 17 4.821 -5.099 -13.457 1.00 40.41 H new ATOM 0 HA2 GLY A 17 4.603 -7.346 -11.770 1.00 5.04 H new ATOM 0 HA3 GLY A 17 6.074 -6.590 -12.347 1.00 5.04 H new ATOM 260 N LYS A 18 5.323 -6.809 -9.443 1.00 13.42 N ATOM 261 CA LYS A 18 5.568 -6.480 -8.033 1.00 32.04 C ATOM 262 C LYS A 18 6.586 -7.457 -7.405 1.00 21.54 C ATOM 263 O LYS A 18 6.428 -8.675 -7.503 1.00 41.42 O ATOM 264 CB LYS A 18 4.242 -6.525 -7.248 1.00 33.13 C ATOM 265 CG LYS A 18 3.149 -5.582 -7.777 1.00 73.41 C ATOM 266 CD LYS A 18 3.202 -4.180 -7.155 1.00 63.33 C ATOM 267 CE LYS A 18 4.477 -3.417 -7.501 1.00 43.23 C ATOM 268 NZ LYS A 18 4.494 -2.057 -6.896 1.00 52.15 N ATOM 0 H LYS A 18 5.062 -7.782 -9.604 1.00 13.42 H new ATOM 0 HA LYS A 18 5.986 -5.474 -7.983 1.00 32.04 H new ATOM 0 HB2 LYS A 18 3.861 -7.546 -7.264 1.00 33.13 H new ATOM 0 HB3 LYS A 18 4.444 -6.277 -6.206 1.00 33.13 H new ATOM 0 HG2 LYS A 18 3.246 -5.495 -8.859 1.00 73.41 H new ATOM 0 HG3 LYS A 18 2.172 -6.023 -7.579 1.00 73.41 H new ATOM 0 HD2 LYS A 18 2.340 -3.606 -7.494 1.00 63.33 H new ATOM 0 HD3 LYS A 18 3.121 -4.267 -6.071 1.00 63.33 H new ATOM 0 HE2 LYS A 18 5.343 -3.980 -7.152 1.00 43.23 H new ATOM 0 HE3 LYS A 18 4.567 -3.333 -8.584 1.00 43.23 H new ATOM 0 HZ1 LYS A 18 5.423 -1.618 -7.055 1.00 52.15 H new ATOM 0 HZ2 LYS A 18 3.755 -1.472 -7.336 1.00 52.15 H new ATOM 0 HZ3 LYS A 18 4.316 -2.129 -5.874 1.00 52.15 H new ATOM 282 N PRO A 19 7.648 -6.936 -6.754 1.00 30.14 N ATOM 283 CA PRO A 19 8.680 -7.774 -6.111 1.00 24.44 C ATOM 284 C PRO A 19 8.235 -8.356 -4.753 1.00 51.52 C ATOM 285 O PRO A 19 7.086 -8.186 -4.333 1.00 41.21 O ATOM 286 CB PRO A 19 9.841 -6.789 -5.923 1.00 12.01 C ATOM 287 CG PRO A 19 9.178 -5.464 -5.738 1.00 63.34 C ATOM 288 CD PRO A 19 7.940 -5.491 -6.604 1.00 74.22 C ATOM 0 HA PRO A 19 8.923 -8.652 -6.709 1.00 24.44 H new ATOM 0 HB2 PRO A 19 10.450 -7.053 -5.058 1.00 12.01 H new ATOM 0 HB3 PRO A 19 10.503 -6.785 -6.789 1.00 12.01 H new ATOM 0 HG2 PRO A 19 8.919 -5.301 -4.692 1.00 63.34 H new ATOM 0 HG3 PRO A 19 9.842 -4.651 -6.032 1.00 63.34 H new ATOM 0 HD2 PRO A 19 7.111 -4.962 -6.134 1.00 74.22 H new ATOM 0 HD3 PRO A 19 8.116 -5.016 -7.569 1.00 74.22 H new ATOM 296 N GLY A 20 9.152 -9.043 -4.068 1.00 63.55 N ATOM 297 CA GLY A 20 8.848 -9.618 -2.754 1.00 24.24 C ATOM 298 C GLY A 20 9.019 -8.625 -1.605 1.00 2.12 C ATOM 299 O GLY A 20 8.781 -8.957 -0.442 1.00 62.44 O ATOM 0 H GLY A 20 10.102 -9.214 -4.396 1.00 63.55 H new ATOM 0 HA2 GLY A 20 7.823 -9.988 -2.756 1.00 24.24 H new ATOM 0 HA3 GLY A 20 9.497 -10.477 -2.582 1.00 24.24 H new ATOM 303 N ALA A 21 9.452 -7.412 -1.935 1.00 61.51 N ATOM 304 CA ALA A 21 9.595 -6.333 -0.951 1.00 14.14 C ATOM 305 C ALA A 21 8.788 -5.098 -1.372 1.00 32.24 C ATOM 306 O ALA A 21 8.090 -5.118 -2.390 1.00 1.42 O ATOM 307 CB ALA A 21 11.068 -5.976 -0.772 1.00 1.23 C ATOM 0 H ALA A 21 9.713 -7.146 -2.884 1.00 61.51 H new ATOM 0 HA ALA A 21 9.201 -6.683 0.003 1.00 14.14 H new ATOM 0 HB1 ALA A 21 11.162 -5.174 -0.040 1.00 1.23 H new ATOM 0 HB2 ALA A 21 11.615 -6.852 -0.423 1.00 1.23 H new ATOM 0 HB3 ALA A 21 11.481 -5.646 -1.725 1.00 1.23 H new ATOM 313 N LEU A 22 8.876 -4.027 -0.586 1.00 71.12 N ATOM 314 CA LEU A 22 8.163 -2.781 -0.891 1.00 51.31 C ATOM 315 C LEU A 22 9.137 -1.646 -1.240 1.00 1.44 C ATOM 316 O LEU A 22 10.136 -1.441 -0.548 1.00 3.43 O ATOM 317 CB LEU A 22 7.292 -2.365 0.300 1.00 62.05 C ATOM 318 CG LEU A 22 6.155 -3.335 0.653 1.00 44.51 C ATOM 319 CD1 LEU A 22 5.395 -2.842 1.877 1.00 41.41 C ATOM 320 CD2 LEU A 22 5.209 -3.518 -0.536 1.00 63.21 C ATOM 0 H LEU A 22 9.433 -3.994 0.268 1.00 71.12 H new ATOM 0 HA LEU A 22 7.530 -2.966 -1.759 1.00 51.31 H new ATOM 0 HB2 LEU A 22 7.933 -2.249 1.174 1.00 62.05 H new ATOM 0 HB3 LEU A 22 6.860 -1.387 0.089 1.00 62.05 H new ATOM 0 HG LEU A 22 6.592 -4.305 0.889 1.00 44.51 H new ATOM 0 HD11 LEU A 22 4.593 -3.541 2.113 1.00 41.41 H new ATOM 0 HD12 LEU A 22 6.077 -2.772 2.725 1.00 41.41 H new ATOM 0 HD13 LEU A 22 4.971 -1.859 1.670 1.00 41.41 H new ATOM 0 HD21 LEU A 22 4.411 -4.209 -0.263 1.00 63.21 H new ATOM 0 HD22 LEU A 22 4.777 -2.555 -0.809 1.00 63.21 H new ATOM 0 HD23 LEU A 22 5.764 -3.920 -1.384 1.00 63.21 H new ATOM 332 N PRO A 23 8.862 -0.893 -2.319 1.00 5.01 N ATOM 333 CA PRO A 23 9.694 0.254 -2.710 1.00 10.15 C ATOM 334 C PRO A 23 9.461 1.483 -1.813 1.00 11.44 C ATOM 335 O PRO A 23 8.320 1.835 -1.514 1.00 30.02 O ATOM 336 CB PRO A 23 9.236 0.534 -4.148 1.00 45.44 C ATOM 337 CG PRO A 23 7.812 0.087 -4.180 1.00 51.45 C ATOM 338 CD PRO A 23 7.726 -1.095 -3.246 1.00 45.05 C ATOM 0 HA PRO A 23 10.760 0.044 -2.618 1.00 10.15 H new ATOM 0 HB2 PRO A 23 9.326 1.592 -4.394 1.00 45.44 H new ATOM 0 HB3 PRO A 23 9.840 -0.014 -4.871 1.00 45.44 H new ATOM 0 HG2 PRO A 23 7.145 0.887 -3.859 1.00 51.45 H new ATOM 0 HG3 PRO A 23 7.513 -0.192 -5.191 1.00 51.45 H new ATOM 0 HD2 PRO A 23 6.775 -1.117 -2.715 1.00 45.05 H new ATOM 0 HD3 PRO A 23 7.812 -2.038 -3.785 1.00 45.05 H new ATOM 346 N ALA A 24 10.542 2.142 -1.396 1.00 13.32 N ATOM 347 CA ALA A 24 10.439 3.346 -0.560 1.00 13.43 C ATOM 348 C ALA A 24 9.636 4.460 -1.261 1.00 61.12 C ATOM 349 O ALA A 24 9.174 5.410 -0.625 1.00 53.43 O ATOM 350 CB ALA A 24 11.833 3.848 -0.193 1.00 75.33 C ATOM 0 H ALA A 24 11.498 1.866 -1.621 1.00 13.32 H new ATOM 0 HA ALA A 24 9.902 3.077 0.349 1.00 13.43 H new ATOM 0 HB1 ALA A 24 11.747 4.741 0.427 1.00 75.33 H new ATOM 0 HB2 ALA A 24 12.365 3.073 0.359 1.00 75.33 H new ATOM 0 HB3 ALA A 24 12.384 4.089 -1.102 1.00 75.33 H new ATOM 356 N ASN A 25 9.466 4.319 -2.574 1.00 65.15 N ATOM 357 CA ASN A 25 8.734 5.298 -3.383 1.00 34.34 C ATOM 358 C ASN A 25 7.213 5.271 -3.138 1.00 64.24 C ATOM 359 O ASN A 25 6.486 6.079 -3.715 1.00 0.42 O ATOM 360 CB ASN A 25 9.025 5.066 -4.869 1.00 13.55 C ATOM 361 CG ASN A 25 10.493 5.257 -5.208 1.00 51.12 C ATOM 362 OD1 ASN A 25 11.045 4.559 -6.054 1.00 13.41 O ATOM 363 ND2 ASN A 25 11.137 6.209 -4.563 1.00 71.34 N ATOM 0 H ASN A 25 9.829 3.528 -3.107 1.00 65.15 H new ATOM 0 HA ASN A 25 9.085 6.284 -3.078 1.00 34.34 H new ATOM 0 HB2 ASN A 25 8.720 4.056 -5.143 1.00 13.55 H new ATOM 0 HB3 ASN A 25 8.425 5.753 -5.466 1.00 13.55 H new ATOM 0 HD21 ASN A 25 12.122 6.383 -4.761 1.00 71.34 H new ATOM 0 HD22 ASN A 25 10.650 6.772 -3.866 1.00 71.34 H new ATOM 370 N LEU A 26 6.729 4.357 -2.289 1.00 22.23 N ATOM 371 CA LEU A 26 5.305 4.346 -1.909 1.00 33.03 C ATOM 372 C LEU A 26 4.885 5.716 -1.352 1.00 51.13 C ATOM 373 O LEU A 26 3.739 6.149 -1.505 1.00 1.23 O ATOM 374 CB LEU A 26 5.025 3.246 -0.873 1.00 74.12 C ATOM 375 CG LEU A 26 5.222 1.805 -1.372 1.00 0.23 C ATOM 376 CD1 LEU A 26 4.948 0.804 -0.253 1.00 50.05 C ATOM 377 CD2 LEU A 26 4.335 1.520 -2.585 1.00 43.41 C ATOM 0 H LEU A 26 7.290 3.624 -1.855 1.00 22.23 H new ATOM 0 HA LEU A 26 4.718 4.136 -2.803 1.00 33.03 H new ATOM 0 HB2 LEU A 26 5.675 3.407 -0.013 1.00 74.12 H new ATOM 0 HB3 LEU A 26 3.999 3.354 -0.522 1.00 74.12 H new ATOM 0 HG LEU A 26 6.261 1.694 -1.682 1.00 0.23 H new ATOM 0 HD11 LEU A 26 5.093 -0.209 -0.628 1.00 50.05 H new ATOM 0 HD12 LEU A 26 5.634 0.987 0.574 1.00 50.05 H new ATOM 0 HD13 LEU A 26 3.921 0.919 0.094 1.00 50.05 H new ATOM 0 HD21 LEU A 26 4.493 0.494 -2.919 1.00 43.41 H new ATOM 0 HD22 LEU A 26 3.289 1.655 -2.310 1.00 43.41 H new ATOM 0 HD23 LEU A 26 4.590 2.207 -3.392 1.00 43.41 H new ATOM 389 N ASP A 27 5.832 6.391 -0.706 1.00 52.33 N ATOM 390 CA ASP A 27 5.637 7.767 -0.247 1.00 20.42 C ATOM 391 C ASP A 27 5.387 8.714 -1.438 1.00 63.24 C ATOM 392 O ASP A 27 4.438 9.505 -1.433 1.00 74.43 O ATOM 393 CB ASP A 27 6.872 8.220 0.541 1.00 52.11 C ATOM 394 CG ASP A 27 6.685 9.574 1.204 1.00 40.31 C ATOM 395 OD1 ASP A 27 6.788 10.605 0.510 1.00 34.12 O ATOM 396 OD2 ASP A 27 6.444 9.616 2.426 1.00 1.53 O ATOM 0 H ASP A 27 6.750 6.005 -0.486 1.00 52.33 H new ATOM 0 HA ASP A 27 4.760 7.802 0.399 1.00 20.42 H new ATOM 0 HB2 ASP A 27 7.103 7.476 1.304 1.00 52.11 H new ATOM 0 HB3 ASP A 27 7.729 8.265 -0.131 1.00 52.11 H new ATOM 401 N ASP A 28 6.243 8.612 -2.455 1.00 62.42 N ATOM 402 CA ASP A 28 6.143 9.445 -3.662 1.00 71.13 C ATOM 403 C ASP A 28 4.871 9.120 -4.473 1.00 75.14 C ATOM 404 O ASP A 28 4.257 10.009 -5.072 1.00 45.31 O ATOM 405 CB ASP A 28 7.384 9.237 -4.543 1.00 35.30 C ATOM 406 CG ASP A 28 8.683 9.503 -3.798 1.00 1.33 C ATOM 407 OD1 ASP A 28 9.029 10.685 -3.598 1.00 1.20 O ATOM 408 OD2 ASP A 28 9.371 8.535 -3.411 1.00 42.15 O ATOM 0 H ASP A 28 7.023 7.954 -2.470 1.00 62.42 H new ATOM 0 HA ASP A 28 6.084 10.486 -3.345 1.00 71.13 H new ATOM 0 HB2 ASP A 28 7.389 8.215 -4.921 1.00 35.30 H new ATOM 0 HB3 ASP A 28 7.325 9.896 -5.409 1.00 35.30 H new ATOM 413 N MET A 29 4.486 7.844 -4.485 1.00 13.13 N ATOM 414 CA MET A 29 3.316 7.385 -5.241 1.00 40.32 C ATOM 415 C MET A 29 2.018 8.042 -4.745 1.00 22.35 C ATOM 416 O MET A 29 1.859 8.327 -3.555 1.00 14.21 O ATOM 417 CB MET A 29 3.197 5.858 -5.165 1.00 14.25 C ATOM 418 CG MET A 29 4.357 5.122 -5.825 1.00 32.03 C ATOM 419 SD MET A 29 4.258 3.335 -5.615 1.00 51.53 S ATOM 420 CE MET A 29 2.666 2.982 -6.359 1.00 62.31 C ATOM 0 H MET A 29 4.970 7.104 -3.977 1.00 13.13 H new ATOM 0 HA MET A 29 3.461 7.684 -6.279 1.00 40.32 H new ATOM 0 HB2 MET A 29 3.136 5.558 -4.119 1.00 14.25 H new ATOM 0 HB3 MET A 29 2.265 5.550 -5.640 1.00 14.25 H new ATOM 0 HG2 MET A 29 4.373 5.358 -6.889 1.00 32.03 H new ATOM 0 HG3 MET A 29 5.296 5.481 -5.404 1.00 32.03 H new ATOM 0 HE1 MET A 29 2.678 1.979 -6.786 1.00 62.31 H new ATOM 0 HE2 MET A 29 1.887 3.043 -5.599 1.00 62.31 H new ATOM 0 HE3 MET A 29 2.463 3.709 -7.145 1.00 62.31 H new ATOM 430 N LYS A 30 1.092 8.267 -5.674 1.00 1.40 N ATOM 431 CA LYS A 30 -0.167 8.958 -5.376 1.00 53.34 C ATOM 432 C LYS A 30 -1.147 8.050 -4.614 1.00 43.44 C ATOM 433 O LYS A 30 -0.939 6.839 -4.499 1.00 62.01 O ATOM 434 CB LYS A 30 -0.813 9.446 -6.681 1.00 41.55 C ATOM 435 CG LYS A 30 0.163 10.160 -7.617 1.00 31.24 C ATOM 436 CD LYS A 30 -0.476 10.490 -8.965 1.00 43.33 C ATOM 437 CE LYS A 30 -1.682 11.407 -8.810 1.00 60.11 C ATOM 438 NZ LYS A 30 -1.313 12.700 -8.176 1.00 4.34 N ATOM 0 H LYS A 30 1.188 7.979 -6.648 1.00 1.40 H new ATOM 0 HA LYS A 30 0.062 9.811 -4.737 1.00 53.34 H new ATOM 0 HB2 LYS A 30 -1.246 8.593 -7.203 1.00 41.55 H new ATOM 0 HB3 LYS A 30 -1.633 10.122 -6.440 1.00 41.55 H new ATOM 0 HG2 LYS A 30 0.511 11.079 -7.146 1.00 31.24 H new ATOM 0 HG3 LYS A 30 1.039 9.532 -7.775 1.00 31.24 H new ATOM 0 HD2 LYS A 30 0.262 10.966 -9.610 1.00 43.33 H new ATOM 0 HD3 LYS A 30 -0.782 9.567 -9.458 1.00 43.33 H new ATOM 0 HE2 LYS A 30 -2.124 11.595 -9.788 1.00 60.11 H new ATOM 0 HE3 LYS A 30 -2.442 10.910 -8.207 1.00 60.11 H new ATOM 0 HZ1 LYS A 30 -2.109 13.365 -8.255 1.00 4.34 H new ATOM 0 HZ2 LYS A 30 -1.091 12.544 -7.172 1.00 4.34 H new ATOM 0 HZ3 LYS A 30 -0.481 13.097 -8.657 1.00 4.34 H new ATOM 452 N VAL A 31 -2.229 8.644 -4.121 1.00 64.31 N ATOM 453 CA VAL A 31 -3.224 7.919 -3.323 1.00 4.24 C ATOM 454 C VAL A 31 -3.863 6.762 -4.118 1.00 54.12 C ATOM 455 O VAL A 31 -3.977 5.639 -3.620 1.00 52.04 O ATOM 456 CB VAL A 31 -4.334 8.881 -2.823 1.00 12.30 C ATOM 457 CG1 VAL A 31 -5.326 8.155 -1.919 1.00 62.42 C ATOM 458 CG2 VAL A 31 -3.722 10.087 -2.104 1.00 71.42 C ATOM 0 H VAL A 31 -2.444 9.632 -4.259 1.00 64.31 H new ATOM 0 HA VAL A 31 -2.699 7.496 -2.466 1.00 4.24 H new ATOM 0 HB VAL A 31 -4.881 9.244 -3.693 1.00 12.30 H new ATOM 0 HG11 VAL A 31 -6.092 8.854 -1.584 1.00 62.42 H new ATOM 0 HG12 VAL A 31 -5.794 7.341 -2.472 1.00 62.42 H new ATOM 0 HG13 VAL A 31 -4.801 7.750 -1.054 1.00 62.42 H new ATOM 0 HG21 VAL A 31 -4.518 10.749 -1.762 1.00 71.42 H new ATOM 0 HG22 VAL A 31 -3.142 9.744 -1.248 1.00 71.42 H new ATOM 0 HG23 VAL A 31 -3.071 10.628 -2.791 1.00 71.42 H new ATOM 468 N ALA A 32 -4.262 7.041 -5.360 1.00 51.33 N ATOM 469 CA ALA A 32 -4.890 6.029 -6.221 1.00 51.35 C ATOM 470 C ALA A 32 -3.930 4.872 -6.548 1.00 12.22 C ATOM 471 O ALA A 32 -4.344 3.710 -6.626 1.00 34.12 O ATOM 472 CB ALA A 32 -5.402 6.679 -7.506 1.00 2.24 C ATOM 0 H ALA A 32 -4.163 7.958 -5.795 1.00 51.33 H new ATOM 0 HA ALA A 32 -5.731 5.604 -5.672 1.00 51.35 H new ATOM 0 HB1 ALA A 32 -5.866 5.921 -8.137 1.00 2.24 H new ATOM 0 HB2 ALA A 32 -6.137 7.445 -7.259 1.00 2.24 H new ATOM 0 HB3 ALA A 32 -4.569 7.136 -8.040 1.00 2.24 H new ATOM 478 N GLU A 33 -2.646 5.193 -6.730 1.00 64.23 N ATOM 479 CA GLU A 33 -1.632 4.183 -7.068 1.00 22.22 C ATOM 480 C GLU A 33 -1.468 3.170 -5.924 1.00 63.12 C ATOM 481 O GLU A 33 -1.425 1.959 -6.148 1.00 64.13 O ATOM 482 CB GLU A 33 -0.271 4.842 -7.371 1.00 11.53 C ATOM 483 CG GLU A 33 -0.353 6.195 -8.076 1.00 22.31 C ATOM 484 CD GLU A 33 -1.307 6.213 -9.263 1.00 63.54 C ATOM 485 OE1 GLU A 33 -0.966 5.644 -10.319 1.00 11.43 O ATOM 486 OE2 GLU A 33 -2.408 6.790 -9.136 1.00 12.34 O ATOM 0 H GLU A 33 -2.282 6.142 -6.650 1.00 64.23 H new ATOM 0 HA GLU A 33 -1.976 3.661 -7.961 1.00 22.22 H new ATOM 0 HB2 GLU A 33 0.271 4.969 -6.434 1.00 11.53 H new ATOM 0 HB3 GLU A 33 0.316 4.162 -7.989 1.00 11.53 H new ATOM 0 HG2 GLU A 33 -0.669 6.950 -7.357 1.00 22.31 H new ATOM 0 HG3 GLU A 33 0.643 6.477 -8.418 1.00 22.31 H new ATOM 493 N LEU A 34 -1.382 3.682 -4.698 1.00 22.14 N ATOM 494 CA LEU A 34 -1.275 2.834 -3.506 1.00 62.32 C ATOM 495 C LEU A 34 -2.491 1.898 -3.387 1.00 43.50 C ATOM 496 O LEU A 34 -2.351 0.703 -3.114 1.00 53.13 O ATOM 497 CB LEU A 34 -1.153 3.708 -2.251 1.00 52.35 C ATOM 498 CG LEU A 34 0.061 4.654 -2.224 1.00 31.33 C ATOM 499 CD1 LEU A 34 0.023 5.546 -0.986 1.00 61.13 C ATOM 500 CD2 LEU A 34 1.362 3.859 -2.281 1.00 3.23 C ATOM 0 H LEU A 34 -1.384 4.683 -4.501 1.00 22.14 H new ATOM 0 HA LEU A 34 -0.381 2.218 -3.600 1.00 62.32 H new ATOM 0 HB2 LEU A 34 -2.060 4.305 -2.154 1.00 52.35 H new ATOM 0 HB3 LEU A 34 -1.105 3.057 -1.378 1.00 52.35 H new ATOM 0 HG LEU A 34 0.015 5.296 -3.104 1.00 31.33 H new ATOM 0 HD11 LEU A 34 0.890 6.207 -0.987 1.00 61.13 H new ATOM 0 HD12 LEU A 34 -0.889 6.144 -0.996 1.00 61.13 H new ATOM 0 HD13 LEU A 34 0.040 4.926 -0.090 1.00 61.13 H new ATOM 0 HD21 LEU A 34 2.209 4.545 -2.261 1.00 3.23 H new ATOM 0 HD22 LEU A 34 1.417 3.189 -1.423 1.00 3.23 H new ATOM 0 HD23 LEU A 34 1.391 3.274 -3.200 1.00 3.23 H new ATOM 512 N LYS A 35 -3.684 2.450 -3.607 1.00 73.20 N ATOM 513 CA LYS A 35 -4.919 1.655 -3.609 1.00 32.13 C ATOM 514 C LYS A 35 -4.872 0.552 -4.675 1.00 55.14 C ATOM 515 O LYS A 35 -5.386 -0.550 -4.469 1.00 73.51 O ATOM 516 CB LYS A 35 -6.137 2.555 -3.853 1.00 75.01 C ATOM 517 CG LYS A 35 -6.380 3.579 -2.750 1.00 22.01 C ATOM 518 CD LYS A 35 -7.606 4.437 -3.038 1.00 5.02 C ATOM 519 CE LYS A 35 -7.846 5.462 -1.940 1.00 24.12 C ATOM 520 NZ LYS A 35 -9.029 6.314 -2.226 1.00 2.12 N ATOM 0 H LYS A 35 -3.825 3.444 -3.786 1.00 73.20 H new ATOM 0 HA LYS A 35 -5.008 1.185 -2.630 1.00 32.13 H new ATOM 0 HB2 LYS A 35 -6.005 3.079 -4.799 1.00 75.01 H new ATOM 0 HB3 LYS A 35 -7.024 1.929 -3.956 1.00 75.01 H new ATOM 0 HG2 LYS A 35 -6.511 3.064 -1.798 1.00 22.01 H new ATOM 0 HG3 LYS A 35 -5.504 4.219 -2.648 1.00 22.01 H new ATOM 0 HD2 LYS A 35 -7.476 4.949 -3.992 1.00 5.02 H new ATOM 0 HD3 LYS A 35 -8.483 3.797 -3.137 1.00 5.02 H new ATOM 0 HE2 LYS A 35 -7.990 4.949 -0.989 1.00 24.12 H new ATOM 0 HE3 LYS A 35 -6.963 6.092 -1.832 1.00 24.12 H new ATOM 0 HZ1 LYS A 35 -9.158 6.999 -1.454 1.00 2.12 H new ATOM 0 HZ2 LYS A 35 -8.882 6.824 -3.120 1.00 2.12 H new ATOM 0 HZ3 LYS A 35 -9.877 5.716 -2.304 1.00 2.12 H new ATOM 534 N GLN A 36 -4.250 0.856 -5.815 1.00 54.11 N ATOM 535 CA GLN A 36 -4.115 -0.116 -6.904 1.00 71.23 C ATOM 536 C GLN A 36 -3.349 -1.364 -6.443 1.00 71.03 C ATOM 537 O GLN A 36 -3.749 -2.488 -6.739 1.00 43.32 O ATOM 538 CB GLN A 36 -3.420 0.527 -8.116 1.00 65.22 C ATOM 539 CG GLN A 36 -3.288 -0.398 -9.328 1.00 0.03 C ATOM 540 CD GLN A 36 -4.629 -0.899 -9.844 1.00 10.03 C ATOM 541 OE1 GLN A 36 -5.652 -0.236 -9.706 1.00 64.13 O ATOM 542 NE2 GLN A 36 -4.637 -2.071 -10.451 1.00 13.20 N ATOM 0 H GLN A 36 -3.832 1.766 -6.009 1.00 54.11 H new ATOM 0 HA GLN A 36 -5.116 -0.429 -7.201 1.00 71.23 H new ATOM 0 HB2 GLN A 36 -3.978 1.416 -8.411 1.00 65.22 H new ATOM 0 HB3 GLN A 36 -2.426 0.859 -7.817 1.00 65.22 H new ATOM 0 HG2 GLN A 36 -2.773 0.133 -10.128 1.00 0.03 H new ATOM 0 HG3 GLN A 36 -2.666 -1.252 -9.060 1.00 0.03 H new ATOM 0 HE21 GLN A 36 -3.770 -2.600 -10.551 1.00 13.20 H new ATOM 0 HE22 GLN A 36 -5.510 -2.448 -10.820 1.00 13.20 H new ATOM 551 N GLU A 37 -2.257 -1.168 -5.707 1.00 45.24 N ATOM 552 CA GLU A 37 -1.505 -2.297 -5.154 1.00 33.02 C ATOM 553 C GLU A 37 -2.318 -3.033 -4.077 1.00 31.23 C ATOM 554 O GLU A 37 -2.350 -4.264 -4.051 1.00 3.24 O ATOM 555 CB GLU A 37 -0.152 -1.835 -4.589 1.00 75.15 C ATOM 556 CG GLU A 37 0.816 -1.348 -5.664 1.00 3.23 C ATOM 557 CD GLU A 37 2.252 -1.229 -5.176 1.00 70.50 C ATOM 558 OE1 GLU A 37 2.774 -2.209 -4.601 1.00 43.43 O ATOM 559 OE2 GLU A 37 2.889 -0.186 -5.423 1.00 13.40 O ATOM 0 H GLU A 37 -1.875 -0.250 -5.480 1.00 45.24 H new ATOM 0 HA GLU A 37 -1.314 -2.996 -5.969 1.00 33.02 H new ATOM 0 HB2 GLU A 37 -0.321 -1.032 -3.871 1.00 75.15 H new ATOM 0 HB3 GLU A 37 0.307 -2.659 -4.043 1.00 75.15 H new ATOM 0 HG2 GLU A 37 0.783 -2.035 -6.510 1.00 3.23 H new ATOM 0 HG3 GLU A 37 0.483 -0.377 -6.029 1.00 3.23 H new ATOM 566 N LEU A 38 -2.987 -2.276 -3.203 1.00 2.44 N ATOM 567 CA LEU A 38 -3.847 -2.865 -2.163 1.00 5.14 C ATOM 568 C LEU A 38 -4.861 -3.861 -2.754 1.00 72.55 C ATOM 569 O LEU A 38 -4.873 -5.038 -2.387 1.00 52.12 O ATOM 570 CB LEU A 38 -4.598 -1.767 -1.394 1.00 24.12 C ATOM 571 CG LEU A 38 -3.741 -0.887 -0.471 1.00 73.34 C ATOM 572 CD1 LEU A 38 -4.595 0.203 0.165 1.00 64.42 C ATOM 573 CD2 LEU A 38 -3.058 -1.726 0.608 1.00 62.14 C ATOM 0 H LEU A 38 -2.952 -1.257 -3.191 1.00 2.44 H new ATOM 0 HA LEU A 38 -3.194 -3.407 -1.479 1.00 5.14 H new ATOM 0 HB2 LEU A 38 -5.099 -1.122 -2.116 1.00 24.12 H new ATOM 0 HB3 LEU A 38 -5.377 -2.238 -0.794 1.00 24.12 H new ATOM 0 HG LEU A 38 -2.965 -0.417 -1.075 1.00 73.34 H new ATOM 0 HD11 LEU A 38 -3.974 0.818 0.816 1.00 64.42 H new ATOM 0 HD12 LEU A 38 -5.030 0.826 -0.616 1.00 64.42 H new ATOM 0 HD13 LEU A 38 -5.392 -0.255 0.751 1.00 64.42 H new ATOM 0 HD21 LEU A 38 -2.458 -1.078 1.247 1.00 62.14 H new ATOM 0 HD22 LEU A 38 -3.814 -2.230 1.210 1.00 62.14 H new ATOM 0 HD23 LEU A 38 -2.414 -2.469 0.138 1.00 62.14 H new ATOM 585 N LYS A 39 -5.701 -3.384 -3.674 1.00 52.52 N ATOM 586 CA LYS A 39 -6.747 -4.221 -4.286 1.00 24.43 C ATOM 587 C LYS A 39 -6.160 -5.490 -4.938 1.00 2.13 C ATOM 588 O LYS A 39 -6.762 -6.561 -4.876 1.00 75.43 O ATOM 589 CB LYS A 39 -7.551 -3.402 -5.315 1.00 35.10 C ATOM 590 CG LYS A 39 -6.728 -2.912 -6.502 1.00 21.31 C ATOM 591 CD LYS A 39 -7.499 -1.925 -7.378 1.00 4.21 C ATOM 592 CE LYS A 39 -7.915 -0.676 -6.604 1.00 14.34 C ATOM 593 NZ LYS A 39 -8.464 0.379 -7.498 1.00 65.41 N ATOM 0 H LYS A 39 -5.681 -2.423 -4.015 1.00 52.52 H new ATOM 0 HA LYS A 39 -7.418 -4.547 -3.491 1.00 24.43 H new ATOM 0 HB2 LYS A 39 -8.375 -4.012 -5.685 1.00 35.10 H new ATOM 0 HB3 LYS A 39 -7.993 -2.541 -4.813 1.00 35.10 H new ATOM 0 HG2 LYS A 39 -5.818 -2.436 -6.138 1.00 21.31 H new ATOM 0 HG3 LYS A 39 -6.421 -3.766 -7.105 1.00 21.31 H new ATOM 0 HD2 LYS A 39 -6.881 -1.636 -8.228 1.00 4.21 H new ATOM 0 HD3 LYS A 39 -8.386 -2.414 -7.781 1.00 4.21 H new ATOM 0 HE2 LYS A 39 -8.663 -0.944 -5.858 1.00 14.34 H new ATOM 0 HE3 LYS A 39 -7.054 -0.281 -6.064 1.00 14.34 H new ATOM 0 HZ1 LYS A 39 -8.734 1.208 -6.931 1.00 65.41 H new ATOM 0 HZ2 LYS A 39 -7.742 0.655 -8.194 1.00 65.41 H new ATOM 0 HZ3 LYS A 39 -9.301 0.012 -7.995 1.00 65.41 H new ATOM 607 N LEU A 40 -4.977 -5.373 -5.541 1.00 60.22 N ATOM 608 CA LEU A 40 -4.306 -6.524 -6.158 1.00 24.44 C ATOM 609 C LEU A 40 -3.831 -7.530 -5.096 1.00 24.23 C ATOM 610 O LEU A 40 -3.754 -8.735 -5.351 1.00 24.31 O ATOM 611 CB LEU A 40 -3.108 -6.054 -6.994 1.00 72.33 C ATOM 612 CG LEU A 40 -3.447 -5.117 -8.166 1.00 41.25 C ATOM 613 CD1 LEU A 40 -2.176 -4.619 -8.848 1.00 73.13 C ATOM 614 CD2 LEU A 40 -4.357 -5.816 -9.172 1.00 34.25 C ATOM 0 H LEU A 40 -4.462 -4.496 -5.617 1.00 60.22 H new ATOM 0 HA LEU A 40 -5.028 -7.022 -6.804 1.00 24.44 H new ATOM 0 HB2 LEU A 40 -2.405 -5.544 -6.335 1.00 72.33 H new ATOM 0 HB3 LEU A 40 -2.596 -6.931 -7.389 1.00 72.33 H new ATOM 0 HG LEU A 40 -3.979 -4.254 -7.765 1.00 41.25 H new ATOM 0 HD11 LEU A 40 -2.441 -3.958 -9.673 1.00 73.13 H new ATOM 0 HD12 LEU A 40 -1.566 -4.073 -8.128 1.00 73.13 H new ATOM 0 HD13 LEU A 40 -1.611 -5.469 -9.231 1.00 73.13 H new ATOM 0 HD21 LEU A 40 -4.584 -5.135 -9.992 1.00 34.25 H new ATOM 0 HD22 LEU A 40 -3.855 -6.701 -9.563 1.00 34.25 H new ATOM 0 HD23 LEU A 40 -5.283 -6.112 -8.680 1.00 34.25 H new ATOM 626 N ARG A 41 -3.513 -7.026 -3.906 1.00 34.23 N ATOM 627 CA ARG A 41 -3.043 -7.867 -2.798 1.00 23.21 C ATOM 628 C ARG A 41 -4.197 -8.247 -1.850 1.00 64.15 C ATOM 629 O ARG A 41 -3.964 -8.695 -0.725 1.00 33.15 O ATOM 630 CB ARG A 41 -1.941 -7.134 -2.018 1.00 22.41 C ATOM 631 CG ARG A 41 -0.793 -6.631 -2.893 1.00 34.30 C ATOM 632 CD ARG A 41 0.279 -5.924 -2.069 1.00 75.41 C ATOM 633 NE ARG A 41 1.235 -5.196 -2.906 1.00 62.53 N ATOM 634 CZ ARG A 41 2.494 -5.517 -3.042 1.00 53.11 C ATOM 635 NH1 ARG A 41 2.944 -6.637 -2.574 1.00 64.34 N ATOM 636 NH2 ARG A 41 3.296 -4.741 -3.694 1.00 33.52 N ATOM 0 H ARG A 41 -3.571 -6.033 -3.679 1.00 34.23 H new ATOM 0 HA ARG A 41 -2.640 -8.788 -3.220 1.00 23.21 H new ATOM 0 HB2 ARG A 41 -2.383 -6.287 -1.493 1.00 22.41 H new ATOM 0 HB3 ARG A 41 -1.539 -7.805 -1.259 1.00 22.41 H new ATOM 0 HG2 ARG A 41 -0.347 -7.471 -3.426 1.00 34.30 H new ATOM 0 HG3 ARG A 41 -1.183 -5.946 -3.646 1.00 34.30 H new ATOM 0 HD2 ARG A 41 -0.197 -5.229 -1.377 1.00 75.41 H new ATOM 0 HD3 ARG A 41 0.813 -6.658 -1.466 1.00 75.41 H new ATOM 0 HE ARG A 41 0.894 -4.382 -3.418 1.00 62.53 H new ATOM 0 HH11 ARG A 41 2.314 -7.279 -2.093 1.00 64.34 H new ATOM 0 HH12 ARG A 41 3.929 -6.878 -2.686 1.00 64.34 H new ATOM 0 HH21 ARG A 41 2.946 -3.875 -4.104 1.00 33.52 H new ATOM 0 HH22 ARG A 41 4.278 -4.995 -3.798 1.00 33.52 H new ATOM 650 N SER A 42 -5.441 -8.068 -2.319 1.00 22.24 N ATOM 651 CA SER A 42 -6.649 -8.422 -1.540 1.00 34.33 C ATOM 652 C SER A 42 -6.804 -7.549 -0.279 1.00 61.42 C ATOM 653 O SER A 42 -7.414 -7.956 0.712 1.00 3.45 O ATOM 654 CB SER A 42 -6.623 -9.912 -1.152 1.00 32.21 C ATOM 655 OG SER A 42 -6.554 -10.746 -2.303 1.00 32.15 O ATOM 0 H SER A 42 -5.643 -7.678 -3.240 1.00 22.24 H new ATOM 0 HA SER A 42 -7.511 -8.231 -2.180 1.00 34.33 H new ATOM 0 HB2 SER A 42 -5.766 -10.107 -0.507 1.00 32.21 H new ATOM 0 HB3 SER A 42 -7.516 -10.156 -0.577 1.00 32.21 H new ATOM 0 HG SER A 42 -6.537 -11.686 -2.026 1.00 32.15 H new ATOM 661 N LEU A 43 -6.269 -6.336 -0.337 1.00 60.53 N ATOM 662 CA LEU A 43 -6.331 -5.386 0.783 1.00 30.43 C ATOM 663 C LEU A 43 -7.410 -4.307 0.547 1.00 75.12 C ATOM 664 O LEU A 43 -7.628 -3.880 -0.589 1.00 74.14 O ATOM 665 CB LEU A 43 -4.958 -4.725 0.962 1.00 42.44 C ATOM 666 CG LEU A 43 -3.827 -5.670 1.415 1.00 2.11 C ATOM 667 CD1 LEU A 43 -2.454 -5.044 1.166 1.00 33.42 C ATOM 668 CD2 LEU A 43 -3.991 -6.018 2.893 1.00 43.44 C ATOM 0 H LEU A 43 -5.779 -5.977 -1.157 1.00 60.53 H new ATOM 0 HA LEU A 43 -6.601 -5.933 1.686 1.00 30.43 H new ATOM 0 HB2 LEU A 43 -4.668 -4.265 0.017 1.00 42.44 H new ATOM 0 HB3 LEU A 43 -5.052 -3.921 1.692 1.00 42.44 H new ATOM 0 HG LEU A 43 -3.892 -6.585 0.826 1.00 2.11 H new ATOM 0 HD11 LEU A 43 -1.675 -5.732 1.495 1.00 33.42 H new ATOM 0 HD12 LEU A 43 -2.334 -4.842 0.102 1.00 33.42 H new ATOM 0 HD13 LEU A 43 -2.373 -4.111 1.724 1.00 33.42 H new ATOM 0 HD21 LEU A 43 -3.186 -6.686 3.201 1.00 43.44 H new ATOM 0 HD22 LEU A 43 -3.953 -5.106 3.488 1.00 43.44 H new ATOM 0 HD23 LEU A 43 -4.951 -6.511 3.046 1.00 43.44 H new ATOM 680 N PRO A 44 -8.101 -3.849 1.616 1.00 33.31 N ATOM 681 CA PRO A 44 -9.136 -2.799 1.502 1.00 70.33 C ATOM 682 C PRO A 44 -8.550 -1.410 1.179 1.00 43.44 C ATOM 683 O PRO A 44 -7.706 -0.888 1.916 1.00 62.50 O ATOM 684 CB PRO A 44 -9.800 -2.807 2.887 1.00 10.14 C ATOM 685 CG PRO A 44 -8.742 -3.317 3.806 1.00 65.21 C ATOM 686 CD PRO A 44 -7.948 -4.320 3.007 1.00 40.50 C ATOM 0 HA PRO A 44 -9.826 -2.997 0.682 1.00 70.33 H new ATOM 0 HB2 PRO A 44 -10.128 -1.808 3.175 1.00 10.14 H new ATOM 0 HB3 PRO A 44 -10.681 -3.449 2.901 1.00 10.14 H new ATOM 0 HG2 PRO A 44 -8.105 -2.505 4.157 1.00 65.21 H new ATOM 0 HG3 PRO A 44 -9.182 -3.781 4.689 1.00 65.21 H new ATOM 0 HD2 PRO A 44 -6.902 -4.339 3.312 1.00 40.50 H new ATOM 0 HD3 PRO A 44 -8.335 -5.331 3.134 1.00 40.50 H new ATOM 694 N VAL A 45 -9.026 -0.809 0.086 1.00 55.52 N ATOM 695 CA VAL A 45 -8.486 0.463 -0.418 1.00 4.51 C ATOM 696 C VAL A 45 -9.065 1.689 0.311 1.00 54.12 C ATOM 697 O VAL A 45 -8.529 2.794 0.200 1.00 71.15 O ATOM 698 CB VAL A 45 -8.755 0.612 -1.939 1.00 61.25 C ATOM 699 CG1 VAL A 45 -8.128 -0.544 -2.713 1.00 13.34 C ATOM 700 CG2 VAL A 45 -10.254 0.705 -2.225 1.00 61.41 C ATOM 0 H VAL A 45 -9.791 -1.185 -0.474 1.00 55.52 H new ATOM 0 HA VAL A 45 -7.414 0.431 -0.226 1.00 4.51 H new ATOM 0 HB VAL A 45 -8.291 1.540 -2.274 1.00 61.25 H new ATOM 0 HG11 VAL A 45 -8.328 -0.420 -3.777 1.00 13.34 H new ATOM 0 HG12 VAL A 45 -7.051 -0.553 -2.545 1.00 13.34 H new ATOM 0 HG13 VAL A 45 -8.556 -1.486 -2.370 1.00 13.34 H new ATOM 0 HG21 VAL A 45 -10.414 0.809 -3.298 1.00 61.41 H new ATOM 0 HG22 VAL A 45 -10.749 -0.199 -1.870 1.00 61.41 H new ATOM 0 HG23 VAL A 45 -10.669 1.572 -1.711 1.00 61.41 H new ATOM 710 N SER A 46 -10.159 1.499 1.047 1.00 0.10 N ATOM 711 CA SER A 46 -10.816 2.610 1.755 1.00 61.22 C ATOM 712 C SER A 46 -9.993 3.107 2.955 1.00 42.44 C ATOM 713 O SER A 46 -10.269 2.757 4.103 1.00 1.53 O ATOM 714 CB SER A 46 -12.219 2.200 2.228 1.00 1.32 C ATOM 715 OG SER A 46 -13.060 1.863 1.135 1.00 44.20 O ATOM 0 H SER A 46 -10.611 0.593 1.172 1.00 0.10 H new ATOM 0 HA SER A 46 -10.896 3.430 1.042 1.00 61.22 H new ATOM 0 HB2 SER A 46 -12.141 1.349 2.904 1.00 1.32 H new ATOM 0 HB3 SER A 46 -12.666 3.017 2.794 1.00 1.32 H new ATOM 0 HG SER A 46 -13.944 1.605 1.470 1.00 44.20 H new ATOM 721 N GLY A 47 -8.977 3.917 2.679 1.00 14.43 N ATOM 722 CA GLY A 47 -8.159 4.497 3.743 1.00 54.05 C ATOM 723 C GLY A 47 -7.423 5.763 3.313 1.00 74.50 C ATOM 724 O GLY A 47 -7.457 6.143 2.141 1.00 34.42 O ATOM 0 H GLY A 47 -8.700 4.187 1.735 1.00 14.43 H new ATOM 0 HA2 GLY A 47 -8.796 4.727 4.597 1.00 54.05 H new ATOM 0 HA3 GLY A 47 -7.432 3.757 4.077 1.00 54.05 H new ATOM 728 N THR A 48 -6.766 6.423 4.267 1.00 35.44 N ATOM 729 CA THR A 48 -5.957 7.621 3.980 1.00 2.31 C ATOM 730 C THR A 48 -4.609 7.230 3.362 1.00 12.35 C ATOM 731 O THR A 48 -4.156 6.100 3.535 1.00 51.33 O ATOM 732 CB THR A 48 -5.695 8.454 5.260 1.00 4.52 C ATOM 733 OG1 THR A 48 -4.915 7.692 6.194 1.00 3.32 O ATOM 734 CG2 THR A 48 -7.006 8.878 5.916 1.00 42.12 C ATOM 0 H THR A 48 -6.775 6.152 5.250 1.00 35.44 H new ATOM 0 HA THR A 48 -6.527 8.226 3.275 1.00 2.31 H new ATOM 0 HB THR A 48 -5.145 9.350 4.972 1.00 4.52 H new ATOM 0 HG1 THR A 48 -4.753 8.227 6.999 1.00 3.32 H new ATOM 0 HG21 THR A 48 -6.793 9.461 6.812 1.00 42.12 H new ATOM 0 HG22 THR A 48 -7.583 9.484 5.218 1.00 42.12 H new ATOM 0 HG23 THR A 48 -7.580 7.992 6.188 1.00 42.12 H new ATOM 742 N LYS A 49 -3.961 8.165 2.654 1.00 52.13 N ATOM 743 CA LYS A 49 -2.687 7.874 1.968 1.00 53.45 C ATOM 744 C LYS A 49 -1.686 7.172 2.905 1.00 14.14 C ATOM 745 O LYS A 49 -0.994 6.238 2.500 1.00 23.21 O ATOM 746 CB LYS A 49 -2.064 9.160 1.399 1.00 64.32 C ATOM 747 CG LYS A 49 -0.875 8.897 0.473 1.00 63.25 C ATOM 748 CD LYS A 49 -0.249 10.188 -0.052 1.00 34.05 C ATOM 749 CE LYS A 49 0.819 9.916 -1.113 1.00 53.31 C ATOM 750 NZ LYS A 49 1.920 9.047 -0.609 1.00 32.45 N ATOM 0 H LYS A 49 -4.292 9.123 2.539 1.00 52.13 H new ATOM 0 HA LYS A 49 -2.912 7.197 1.144 1.00 53.45 H new ATOM 0 HB2 LYS A 49 -2.827 9.714 0.851 1.00 64.32 H new ATOM 0 HB3 LYS A 49 -1.740 9.795 2.224 1.00 64.32 H new ATOM 0 HG2 LYS A 49 -0.120 8.322 1.010 1.00 63.25 H new ATOM 0 HG3 LYS A 49 -1.202 8.286 -0.369 1.00 63.25 H new ATOM 0 HD2 LYS A 49 -1.028 10.823 -0.475 1.00 34.05 H new ATOM 0 HD3 LYS A 49 0.195 10.739 0.777 1.00 34.05 H new ATOM 0 HE2 LYS A 49 0.354 9.442 -1.978 1.00 53.31 H new ATOM 0 HE3 LYS A 49 1.236 10.863 -1.454 1.00 53.31 H new ATOM 0 HZ1 LYS A 49 2.835 9.509 -0.784 1.00 32.45 H new ATOM 0 HZ2 LYS A 49 1.800 8.892 0.412 1.00 32.45 H new ATOM 0 HZ3 LYS A 49 1.894 8.132 -1.103 1.00 32.45 H new ATOM 764 N THR A 50 -1.624 7.623 4.156 1.00 21.01 N ATOM 765 CA THR A 50 -0.797 6.970 5.179 1.00 13.20 C ATOM 766 C THR A 50 -1.242 5.518 5.400 1.00 30.10 C ATOM 767 O THR A 50 -0.444 4.587 5.275 1.00 12.41 O ATOM 768 CB THR A 50 -0.863 7.728 6.528 1.00 61.22 C ATOM 769 OG1 THR A 50 -0.436 9.086 6.347 1.00 62.25 O ATOM 770 CG2 THR A 50 0.009 7.054 7.590 1.00 71.35 C ATOM 0 H THR A 50 -2.136 8.439 4.490 1.00 21.01 H new ATOM 0 HA THR A 50 0.230 6.984 4.814 1.00 13.20 H new ATOM 0 HB THR A 50 -1.897 7.709 6.873 1.00 61.22 H new ATOM 0 HG1 THR A 50 -0.482 9.560 7.203 1.00 62.25 H new ATOM 0 HG21 THR A 50 -0.060 7.611 8.524 1.00 71.35 H new ATOM 0 HG22 THR A 50 -0.337 6.033 7.750 1.00 71.35 H new ATOM 0 HG23 THR A 50 1.045 7.038 7.253 1.00 71.35 H new ATOM 778 N GLU A 51 -2.530 5.335 5.701 1.00 43.24 N ATOM 779 CA GLU A 51 -3.104 4.005 5.950 1.00 23.32 C ATOM 780 C GLU A 51 -2.837 3.038 4.789 1.00 1.02 C ATOM 781 O GLU A 51 -2.632 1.843 5.007 1.00 23.30 O ATOM 782 CB GLU A 51 -4.615 4.122 6.202 1.00 5.10 C ATOM 783 CG GLU A 51 -4.968 4.826 7.509 1.00 10.31 C ATOM 784 CD GLU A 51 -4.630 3.995 8.740 1.00 31.00 C ATOM 785 OE1 GLU A 51 -3.465 4.012 9.190 1.00 53.42 O ATOM 786 OE2 GLU A 51 -5.533 3.311 9.264 1.00 72.41 O ATOM 0 H GLU A 51 -3.203 6.098 5.779 1.00 43.24 H new ATOM 0 HA GLU A 51 -2.617 3.597 6.836 1.00 23.32 H new ATOM 0 HB2 GLU A 51 -5.071 4.664 5.373 1.00 5.10 H new ATOM 0 HB3 GLU A 51 -5.051 3.123 6.209 1.00 5.10 H new ATOM 0 HG2 GLU A 51 -4.435 5.775 7.560 1.00 10.31 H new ATOM 0 HG3 GLU A 51 -6.033 5.058 7.515 1.00 10.31 H new ATOM 793 N LEU A 52 -2.840 3.562 3.564 1.00 40.14 N ATOM 794 CA LEU A 52 -2.555 2.755 2.372 1.00 71.03 C ATOM 795 C LEU A 52 -1.128 2.186 2.423 1.00 22.03 C ATOM 796 O LEU A 52 -0.915 0.987 2.225 1.00 12.25 O ATOM 797 CB LEU A 52 -2.727 3.594 1.098 1.00 72.50 C ATOM 798 CG LEU A 52 -4.057 4.361 0.976 1.00 34.30 C ATOM 799 CD1 LEU A 52 -4.109 5.151 -0.330 1.00 3.15 C ATOM 800 CD2 LEU A 52 -5.257 3.418 1.091 1.00 24.43 C ATOM 0 H LEU A 52 -3.037 4.543 3.368 1.00 40.14 H new ATOM 0 HA LEU A 52 -3.264 1.927 2.354 1.00 71.03 H new ATOM 0 HB2 LEU A 52 -1.909 4.312 1.045 1.00 72.50 H new ATOM 0 HB3 LEU A 52 -2.629 2.935 0.235 1.00 72.50 H new ATOM 0 HG LEU A 52 -4.111 5.067 1.805 1.00 34.30 H new ATOM 0 HD11 LEU A 52 -5.057 5.685 -0.395 1.00 3.15 H new ATOM 0 HD12 LEU A 52 -3.287 5.867 -0.355 1.00 3.15 H new ATOM 0 HD13 LEU A 52 -4.020 4.466 -1.173 1.00 3.15 H new ATOM 0 HD21 LEU A 52 -6.180 3.991 1.001 1.00 24.43 H new ATOM 0 HD22 LEU A 52 -5.213 2.674 0.296 1.00 24.43 H new ATOM 0 HD23 LEU A 52 -5.234 2.917 2.059 1.00 24.43 H new ATOM 812 N ILE A 53 -0.155 3.060 2.696 1.00 14.50 N ATOM 813 CA ILE A 53 1.248 2.649 2.824 1.00 42.12 C ATOM 814 C ILE A 53 1.419 1.635 3.967 1.00 23.22 C ATOM 815 O ILE A 53 1.989 0.557 3.778 1.00 74.12 O ATOM 816 CB ILE A 53 2.171 3.869 3.083 1.00 53.13 C ATOM 817 CG1 ILE A 53 2.021 4.911 1.958 1.00 22.41 C ATOM 818 CG2 ILE A 53 3.628 3.421 3.212 1.00 12.33 C ATOM 819 CD1 ILE A 53 2.832 6.172 2.178 1.00 55.02 C ATOM 0 H ILE A 53 -0.313 4.058 2.833 1.00 14.50 H new ATOM 0 HA ILE A 53 1.534 2.183 1.881 1.00 42.12 H new ATOM 0 HB ILE A 53 1.870 4.334 4.022 1.00 53.13 H new ATOM 0 HG12 ILE A 53 2.321 4.457 1.013 1.00 22.41 H new ATOM 0 HG13 ILE A 53 0.969 5.179 1.862 1.00 22.41 H new ATOM 0 HG21 ILE A 53 4.261 4.290 3.393 1.00 12.33 H new ATOM 0 HG22 ILE A 53 3.722 2.723 4.044 1.00 12.33 H new ATOM 0 HG23 ILE A 53 3.941 2.930 2.290 1.00 12.33 H new ATOM 0 HD11 ILE A 53 2.674 6.856 1.344 1.00 55.02 H new ATOM 0 HD12 ILE A 53 2.516 6.650 3.105 1.00 55.02 H new ATOM 0 HD13 ILE A 53 3.890 5.918 2.243 1.00 55.02 H new ATOM 831 N GLU A 54 0.907 1.987 5.146 1.00 74.10 N ATOM 832 CA GLU A 54 0.970 1.110 6.324 1.00 42.34 C ATOM 833 C GLU A 54 0.350 -0.266 6.027 1.00 64.41 C ATOM 834 O GLU A 54 0.878 -1.304 6.431 1.00 61.25 O ATOM 835 CB GLU A 54 0.231 1.759 7.506 1.00 4.03 C ATOM 836 CG GLU A 54 0.680 3.182 7.834 1.00 64.05 C ATOM 837 CD GLU A 54 2.126 3.273 8.298 1.00 54.31 C ATOM 838 OE1 GLU A 54 3.027 3.385 7.444 1.00 11.11 O ATOM 839 OE2 GLU A 54 2.363 3.252 9.529 1.00 74.51 O ATOM 0 H GLU A 54 0.440 2.878 5.315 1.00 74.10 H new ATOM 0 HA GLU A 54 2.020 0.969 6.580 1.00 42.34 H new ATOM 0 HB2 GLU A 54 -0.837 1.770 7.287 1.00 4.03 H new ATOM 0 HB3 GLU A 54 0.369 1.136 8.390 1.00 4.03 H new ATOM 0 HG2 GLU A 54 0.551 3.807 6.951 1.00 64.05 H new ATOM 0 HG3 GLU A 54 0.032 3.589 8.610 1.00 64.05 H new ATOM 846 N ARG A 55 -0.767 -0.260 5.300 1.00 20.50 N ATOM 847 CA ARG A 55 -1.488 -1.490 4.960 1.00 63.33 C ATOM 848 C ARG A 55 -0.671 -2.370 4.002 1.00 64.23 C ATOM 849 O ARG A 55 -0.668 -3.601 4.117 1.00 10.10 O ATOM 850 CB ARG A 55 -2.848 -1.132 4.351 1.00 4.44 C ATOM 851 CG ARG A 55 -3.817 -2.303 4.232 1.00 14.41 C ATOM 852 CD ARG A 55 -5.262 -1.812 4.197 1.00 50.03 C ATOM 853 NE ARG A 55 -5.586 -1.040 5.398 1.00 71.44 N ATOM 854 CZ ARG A 55 -6.689 -0.371 5.581 1.00 63.13 C ATOM 855 NH1 ARG A 55 -7.585 -0.297 4.652 1.00 41.12 N ATOM 856 NH2 ARG A 55 -6.873 0.259 6.695 1.00 64.51 N ATOM 0 H ARG A 55 -1.196 0.589 4.932 1.00 20.50 H new ATOM 0 HA ARG A 55 -1.645 -2.067 5.871 1.00 63.33 H new ATOM 0 HB2 ARG A 55 -3.311 -0.355 4.959 1.00 4.44 H new ATOM 0 HB3 ARG A 55 -2.687 -0.708 3.360 1.00 4.44 H new ATOM 0 HG2 ARG A 55 -3.599 -2.870 3.327 1.00 14.41 H new ATOM 0 HG3 ARG A 55 -3.679 -2.981 5.074 1.00 14.41 H new ATOM 0 HD2 ARG A 55 -5.418 -1.196 3.312 1.00 50.03 H new ATOM 0 HD3 ARG A 55 -5.937 -2.664 4.116 1.00 50.03 H new ATOM 0 HE ARG A 55 -4.896 -1.025 6.149 1.00 71.44 H new ATOM 0 HH11 ARG A 55 -7.434 -0.767 3.759 1.00 41.12 H new ATOM 0 HH12 ARG A 55 -8.443 0.231 4.812 1.00 41.12 H new ATOM 0 HH21 ARG A 55 -6.158 0.230 7.422 1.00 64.51 H new ATOM 0 HH22 ARG A 55 -7.733 0.785 6.847 1.00 64.51 H new ATOM 870 N LEU A 56 0.018 -1.733 3.056 1.00 34.31 N ATOM 871 CA LEU A 56 0.965 -2.440 2.187 1.00 5.43 C ATOM 872 C LEU A 56 2.085 -3.081 3.019 1.00 32.32 C ATOM 873 O LEU A 56 2.488 -4.222 2.769 1.00 65.22 O ATOM 874 CB LEU A 56 1.565 -1.478 1.146 1.00 62.50 C ATOM 875 CG LEU A 56 0.591 -0.993 0.057 1.00 62.14 C ATOM 876 CD1 LEU A 56 1.235 0.086 -0.811 1.00 33.42 C ATOM 877 CD2 LEU A 56 0.120 -2.164 -0.804 1.00 52.12 C ATOM 0 H LEU A 56 -0.059 -0.733 2.870 1.00 34.31 H new ATOM 0 HA LEU A 56 0.424 -3.228 1.664 1.00 5.43 H new ATOM 0 HB2 LEU A 56 1.963 -0.608 1.668 1.00 62.50 H new ATOM 0 HB3 LEU A 56 2.407 -1.972 0.662 1.00 62.50 H new ATOM 0 HG LEU A 56 -0.277 -0.557 0.551 1.00 62.14 H new ATOM 0 HD11 LEU A 56 0.526 0.412 -1.572 1.00 33.42 H new ATOM 0 HD12 LEU A 56 1.514 0.936 -0.188 1.00 33.42 H new ATOM 0 HD13 LEU A 56 2.125 -0.318 -1.293 1.00 33.42 H new ATOM 0 HD21 LEU A 56 -0.568 -1.801 -1.568 1.00 52.12 H new ATOM 0 HD22 LEU A 56 0.980 -2.632 -1.283 1.00 52.12 H new ATOM 0 HD23 LEU A 56 -0.389 -2.896 -0.176 1.00 52.12 H new ATOM 889 N ARG A 57 2.574 -2.344 4.021 1.00 0.11 N ATOM 890 CA ARG A 57 3.614 -2.857 4.919 1.00 54.00 C ATOM 891 C ARG A 57 3.127 -4.102 5.670 1.00 43.03 C ATOM 892 O ARG A 57 3.769 -5.140 5.628 1.00 45.10 O ATOM 893 CB ARG A 57 4.055 -1.797 5.941 1.00 11.41 C ATOM 894 CG ARG A 57 4.489 -0.470 5.331 1.00 42.15 C ATOM 895 CD ARG A 57 5.116 0.446 6.379 1.00 22.32 C ATOM 896 NE ARG A 57 4.334 0.489 7.615 1.00 72.41 N ATOM 897 CZ ARG A 57 4.767 0.981 8.744 1.00 12.23 C ATOM 898 NH1 ARG A 57 5.935 1.530 8.820 1.00 72.45 N ATOM 899 NH2 ARG A 57 4.019 0.930 9.794 1.00 61.25 N ATOM 0 H ARG A 57 2.268 -1.394 4.231 1.00 0.11 H new ATOM 0 HA ARG A 57 4.467 -3.119 4.293 1.00 54.00 H new ATOM 0 HB2 ARG A 57 3.232 -1.613 6.632 1.00 11.41 H new ATOM 0 HB3 ARG A 57 4.880 -2.199 6.529 1.00 11.41 H new ATOM 0 HG2 ARG A 57 5.205 -0.653 4.530 1.00 42.15 H new ATOM 0 HG3 ARG A 57 3.628 0.025 4.882 1.00 42.15 H new ATOM 0 HD2 ARG A 57 6.126 0.102 6.602 1.00 22.32 H new ATOM 0 HD3 ARG A 57 5.205 1.453 5.972 1.00 22.32 H new ATOM 0 HE ARG A 57 3.388 0.109 7.593 1.00 72.41 H new ATOM 0 HH11 ARG A 57 6.529 1.582 7.992 1.00 72.45 H new ATOM 0 HH12 ARG A 57 6.263 1.911 9.708 1.00 72.45 H new ATOM 0 HH21 ARG A 57 3.093 0.506 9.740 1.00 61.25 H new ATOM 0 HH22 ARG A 57 4.354 1.313 10.678 1.00 61.25 H new ATOM 913 N ALA A 58 1.982 -3.981 6.344 1.00 23.40 N ATOM 914 CA ALA A 58 1.412 -5.082 7.135 1.00 54.34 C ATOM 915 C ALA A 58 1.345 -6.399 6.340 1.00 34.04 C ATOM 916 O ALA A 58 1.773 -7.452 6.823 1.00 71.24 O ATOM 917 CB ALA A 58 0.025 -4.693 7.633 1.00 64.31 C ATOM 0 H ALA A 58 1.425 -3.127 6.360 1.00 23.40 H new ATOM 0 HA ALA A 58 2.073 -5.255 7.984 1.00 54.34 H new ATOM 0 HB1 ALA A 58 -0.394 -5.511 8.219 1.00 64.31 H new ATOM 0 HB2 ALA A 58 0.099 -3.802 8.256 1.00 64.31 H new ATOM 0 HB3 ALA A 58 -0.623 -4.488 6.781 1.00 64.31 H new ATOM 923 N TYR A 59 0.812 -6.328 5.120 1.00 53.13 N ATOM 924 CA TYR A 59 0.722 -7.495 4.232 1.00 22.52 C ATOM 925 C TYR A 59 2.106 -8.116 3.965 1.00 44.03 C ATOM 926 O TYR A 59 2.331 -9.297 4.228 1.00 64.42 O ATOM 927 CB TYR A 59 0.061 -7.087 2.907 1.00 62.43 C ATOM 928 CG TYR A 59 0.112 -8.149 1.818 1.00 63.04 C ATOM 929 CD1 TYR A 59 -0.801 -9.200 1.789 1.00 54.02 C ATOM 930 CD2 TYR A 59 1.077 -8.096 0.816 1.00 31.11 C ATOM 931 CE1 TYR A 59 -0.755 -10.158 0.791 1.00 3.21 C ATOM 932 CE2 TYR A 59 1.125 -9.048 -0.182 1.00 54.22 C ATOM 933 CZ TYR A 59 0.211 -10.077 -0.191 1.00 45.55 C ATOM 934 OH TYR A 59 0.257 -11.023 -1.193 1.00 34.01 O ATOM 0 H TYR A 59 0.433 -5.470 4.719 1.00 53.13 H new ATOM 0 HA TYR A 59 0.113 -8.250 4.728 1.00 22.52 H new ATOM 0 HB2 TYR A 59 -0.981 -6.833 3.100 1.00 62.43 H new ATOM 0 HB3 TYR A 59 0.546 -6.183 2.538 1.00 62.43 H new ATOM 0 HD1 TYR A 59 -1.557 -9.269 2.557 1.00 54.02 H new ATOM 0 HD2 TYR A 59 1.801 -7.295 0.820 1.00 31.11 H new ATOM 0 HE1 TYR A 59 -1.472 -10.965 0.781 1.00 3.21 H new ATOM 0 HE2 TYR A 59 1.878 -8.986 -0.954 1.00 54.22 H new ATOM 0 HH TYR A 59 0.996 -10.818 -1.803 1.00 34.01 H new ATOM 944 N GLN A 60 3.023 -7.303 3.449 1.00 51.22 N ATOM 945 CA GLN A 60 4.369 -7.763 3.075 1.00 51.33 C ATOM 946 C GLN A 60 5.186 -8.190 4.315 1.00 41.34 C ATOM 947 O GLN A 60 5.998 -9.115 4.255 1.00 0.33 O ATOM 948 CB GLN A 60 5.069 -6.632 2.297 1.00 5.11 C ATOM 949 CG GLN A 60 6.368 -7.024 1.593 1.00 62.23 C ATOM 950 CD GLN A 60 7.582 -7.033 2.507 1.00 23.25 C ATOM 951 OE1 GLN A 60 7.646 -6.301 3.492 1.00 43.10 O ATOM 952 NE2 GLN A 60 8.559 -7.851 2.179 1.00 34.02 N ATOM 0 H GLN A 60 2.862 -6.311 3.277 1.00 51.22 H new ATOM 0 HA GLN A 60 4.291 -8.647 2.442 1.00 51.33 H new ATOM 0 HB2 GLN A 60 4.375 -6.244 1.552 1.00 5.11 H new ATOM 0 HB3 GLN A 60 5.283 -5.817 2.989 1.00 5.11 H new ATOM 0 HG2 GLN A 60 6.248 -8.014 1.154 1.00 62.23 H new ATOM 0 HG3 GLN A 60 6.549 -6.331 0.771 1.00 62.23 H new ATOM 0 HE21 GLN A 60 8.472 -8.445 1.354 1.00 34.02 H new ATOM 0 HE22 GLN A 60 9.404 -7.891 2.750 1.00 34.02 H new ATOM 961 N ASP A 61 4.925 -7.528 5.438 1.00 24.22 N ATOM 962 CA ASP A 61 5.641 -7.766 6.699 1.00 24.33 C ATOM 963 C ASP A 61 5.397 -9.187 7.243 1.00 15.44 C ATOM 964 O ASP A 61 6.265 -9.767 7.896 1.00 14.10 O ATOM 965 CB ASP A 61 5.211 -6.709 7.729 1.00 75.33 C ATOM 966 CG ASP A 61 5.917 -6.847 9.063 1.00 35.34 C ATOM 967 OD1 ASP A 61 7.110 -6.490 9.144 1.00 4.05 O ATOM 968 OD2 ASP A 61 5.282 -7.325 10.028 1.00 74.43 O ATOM 0 H ASP A 61 4.208 -6.806 5.505 1.00 24.22 H new ATOM 0 HA ASP A 61 6.711 -7.682 6.508 1.00 24.33 H new ATOM 0 HB2 ASP A 61 5.407 -5.716 7.324 1.00 75.33 H new ATOM 0 HB3 ASP A 61 4.135 -6.782 7.886 1.00 75.33 H new ATOM 973 N GLN A 62 4.220 -9.746 6.958 1.00 13.23 N ATOM 974 CA GLN A 62 3.872 -11.101 7.416 1.00 11.44 C ATOM 975 C GLN A 62 4.879 -12.148 6.906 1.00 73.41 C ATOM 976 O GLN A 62 5.244 -13.079 7.626 1.00 40.03 O ATOM 977 CB GLN A 62 2.458 -11.480 6.950 1.00 5.51 C ATOM 978 CG GLN A 62 1.362 -10.557 7.474 1.00 74.13 C ATOM 979 CD GLN A 62 -0.022 -10.954 6.990 1.00 24.34 C ATOM 980 OE1 GLN A 62 -0.734 -11.708 7.643 1.00 22.53 O ATOM 981 NE2 GLN A 62 -0.400 -10.476 5.823 1.00 3.13 N ATOM 0 H GLN A 62 3.490 -9.286 6.414 1.00 13.23 H new ATOM 0 HA GLN A 62 3.906 -11.094 8.505 1.00 11.44 H new ATOM 0 HB2 GLN A 62 2.432 -11.475 5.860 1.00 5.51 H new ATOM 0 HB3 GLN A 62 2.243 -12.500 7.269 1.00 5.51 H new ATOM 0 HG2 GLN A 62 1.377 -10.565 8.564 1.00 74.13 H new ATOM 0 HG3 GLN A 62 1.573 -9.535 7.159 1.00 74.13 H new ATOM 0 HE21 GLN A 62 0.216 -9.850 5.304 1.00 3.13 H new ATOM 0 HE22 GLN A 62 -1.309 -10.731 5.438 1.00 3.13 H new ATOM 990 N ILE A 63 5.322 -11.989 5.660 1.00 71.43 N ATOM 991 CA ILE A 63 6.266 -12.935 5.045 1.00 41.31 C ATOM 992 C ILE A 63 7.706 -12.388 5.018 1.00 41.25 C ATOM 993 O ILE A 63 8.664 -13.144 4.841 1.00 62.24 O ATOM 994 CB ILE A 63 5.831 -13.295 3.601 1.00 21.30 C ATOM 995 CG1 ILE A 63 5.775 -12.032 2.721 1.00 13.42 C ATOM 996 CG2 ILE A 63 4.479 -14.013 3.612 1.00 51.21 C ATOM 997 CD1 ILE A 63 5.366 -12.299 1.286 1.00 3.21 C ATOM 0 H ILE A 63 5.046 -11.217 5.053 1.00 71.43 H new ATOM 0 HA ILE A 63 6.251 -13.831 5.666 1.00 41.31 H new ATOM 0 HB ILE A 63 6.572 -13.971 3.175 1.00 21.30 H new ATOM 0 HG12 ILE A 63 5.073 -11.325 3.163 1.00 13.42 H new ATOM 0 HG13 ILE A 63 6.755 -11.554 2.726 1.00 13.42 H new ATOM 0 HG21 ILE A 63 4.189 -14.258 2.590 1.00 51.21 H new ATOM 0 HG22 ILE A 63 4.559 -14.930 4.197 1.00 51.21 H new ATOM 0 HG23 ILE A 63 3.726 -13.363 4.057 1.00 51.21 H new ATOM 0 HD11 ILE A 63 5.350 -11.361 0.732 1.00 3.21 H new ATOM 0 HD12 ILE A 63 6.080 -12.981 0.825 1.00 3.21 H new ATOM 0 HD13 ILE A 63 4.373 -12.748 1.268 1.00 3.21 H new ATOM 1009 N SER A 64 7.856 -11.078 5.195 1.00 43.31 N ATOM 1010 CA SER A 64 9.178 -10.431 5.159 1.00 1.05 C ATOM 1011 C SER A 64 10.017 -10.771 6.400 1.00 21.21 C ATOM 1012 O SER A 64 9.488 -10.848 7.511 1.00 22.34 O ATOM 1013 CB SER A 64 9.030 -8.907 5.063 1.00 10.11 C ATOM 1014 OG SER A 64 10.294 -8.267 4.923 1.00 35.23 O ATOM 0 H SER A 64 7.081 -10.437 5.366 1.00 43.31 H new ATOM 0 HA SER A 64 9.692 -10.812 4.277 1.00 1.05 H new ATOM 0 HB2 SER A 64 8.397 -8.655 4.212 1.00 10.11 H new ATOM 0 HB3 SER A 64 8.528 -8.532 5.955 1.00 10.11 H new ATOM 0 HG SER A 64 10.165 -7.297 4.863 1.00 35.23 H new ATOM 1020 N PRO A 65 11.337 -10.992 6.230 1.00 30.31 N ATOM 1021 CA PRO A 65 12.258 -11.191 7.361 1.00 61.31 C ATOM 1022 C PRO A 65 12.223 -10.016 8.356 1.00 63.12 C ATOM 1023 O PRO A 65 12.844 -8.975 8.137 1.00 60.40 O ATOM 1024 CB PRO A 65 13.638 -11.298 6.686 1.00 10.24 C ATOM 1025 CG PRO A 65 13.342 -11.734 5.289 1.00 2.01 C ATOM 1026 CD PRO A 65 12.029 -11.090 4.930 1.00 22.41 C ATOM 0 HA PRO A 65 11.996 -12.067 7.954 1.00 61.31 H new ATOM 0 HB2 PRO A 65 14.161 -10.342 6.700 1.00 10.24 H new ATOM 0 HB3 PRO A 65 14.275 -12.018 7.199 1.00 10.24 H new ATOM 0 HG2 PRO A 65 14.131 -11.421 4.606 1.00 2.01 H new ATOM 0 HG3 PRO A 65 13.276 -12.820 5.224 1.00 2.01 H new ATOM 0 HD2 PRO A 65 12.172 -10.110 4.475 1.00 22.41 H new ATOM 0 HD3 PRO A 65 11.466 -11.693 4.218 1.00 22.41 H new ATOM 1034 N VAL A 66 11.460 -10.176 9.436 1.00 44.32 N ATOM 1035 CA VAL A 66 11.319 -9.125 10.451 1.00 44.23 C ATOM 1036 C VAL A 66 12.499 -9.131 11.441 1.00 25.21 C ATOM 1037 O VAL A 66 13.078 -10.183 11.721 1.00 4.11 O ATOM 1038 CB VAL A 66 9.985 -9.276 11.229 1.00 52.01 C ATOM 1039 CG1 VAL A 66 8.797 -9.092 10.290 1.00 33.40 C ATOM 1040 CG2 VAL A 66 9.914 -10.630 11.936 1.00 43.55 C ATOM 0 H VAL A 66 10.928 -11.023 9.634 1.00 44.32 H new ATOM 0 HA VAL A 66 11.316 -8.172 9.923 1.00 44.23 H new ATOM 0 HB VAL A 66 9.945 -8.498 11.992 1.00 52.01 H new ATOM 0 HG11 VAL A 66 7.869 -9.201 10.851 1.00 33.40 H new ATOM 0 HG12 VAL A 66 8.836 -8.098 9.844 1.00 33.40 H new ATOM 0 HG13 VAL A 66 8.835 -9.845 9.503 1.00 33.40 H new ATOM 0 HG21 VAL A 66 8.969 -10.711 12.474 1.00 43.55 H new ATOM 0 HG22 VAL A 66 9.981 -11.430 11.198 1.00 43.55 H new ATOM 0 HG23 VAL A 66 10.741 -10.716 12.641 1.00 43.55 H new ATOM 1050 N PRO A 67 12.879 -7.953 11.980 1.00 43.33 N ATOM 1051 CA PRO A 67 14.008 -7.835 12.926 1.00 44.32 C ATOM 1052 C PRO A 67 13.680 -8.377 14.335 1.00 3.00 C ATOM 1053 O PRO A 67 13.671 -7.628 15.318 1.00 1.13 O ATOM 1054 CB PRO A 67 14.265 -6.320 12.960 1.00 73.24 C ATOM 1055 CG PRO A 67 12.934 -5.710 12.670 1.00 24.03 C ATOM 1056 CD PRO A 67 12.254 -6.641 11.698 1.00 2.54 C ATOM 0 HA PRO A 67 14.869 -8.426 12.613 1.00 44.32 H new ATOM 0 HB2 PRO A 67 14.644 -6.003 13.932 1.00 73.24 H new ATOM 0 HB3 PRO A 67 15.007 -6.026 12.217 1.00 73.24 H new ATOM 0 HG2 PRO A 67 12.347 -5.602 13.582 1.00 24.03 H new ATOM 0 HG3 PRO A 67 13.046 -4.714 12.243 1.00 24.03 H new ATOM 0 HD2 PRO A 67 11.176 -6.668 11.856 1.00 2.54 H new ATOM 0 HD3 PRO A 67 12.417 -6.332 10.665 1.00 2.54 H new ATOM 1064 N GLY A 68 13.437 -9.683 14.429 1.00 45.34 N ATOM 1065 CA GLY A 68 13.086 -10.293 15.710 1.00 51.10 C ATOM 1066 C GLY A 68 11.665 -9.955 16.161 1.00 11.34 C ATOM 1067 O GLY A 68 11.463 -9.444 17.269 1.00 24.03 O ATOM 0 H GLY A 68 13.476 -10.333 13.644 1.00 45.34 H new ATOM 0 HA2 GLY A 68 13.189 -11.375 15.632 1.00 51.10 H new ATOM 0 HA3 GLY A 68 13.792 -9.960 16.471 1.00 51.10 H new ATOM 1071 N ALA A 69 10.684 -10.264 15.299 1.00 54.13 N ATOM 1072 CA ALA A 69 9.265 -9.941 15.536 1.00 3.43 C ATOM 1073 C ALA A 69 8.993 -8.422 15.489 1.00 4.23 C ATOM 1074 O ALA A 69 9.770 -7.622 16.016 1.00 33.32 O ATOM 1075 CB ALA A 69 8.784 -10.533 16.860 1.00 24.42 C ATOM 0 H ALA A 69 10.851 -10.746 14.416 1.00 54.13 H new ATOM 0 HA ALA A 69 8.698 -10.395 14.723 1.00 3.43 H new ATOM 0 HB1 ALA A 69 7.734 -10.281 17.011 1.00 24.42 H new ATOM 0 HB2 ALA A 69 8.897 -11.617 16.836 1.00 24.42 H new ATOM 0 HB3 ALA A 69 9.377 -10.124 17.678 1.00 24.42 H new ATOM 1081 N PRO A 70 7.886 -8.001 14.842 1.00 1.12 N ATOM 1082 CA PRO A 70 7.497 -6.580 14.786 1.00 55.34 C ATOM 1083 C PRO A 70 7.178 -6.001 16.177 1.00 14.25 C ATOM 1084 O PRO A 70 6.388 -6.568 16.934 1.00 23.10 O ATOM 1085 CB PRO A 70 6.245 -6.583 13.892 1.00 15.15 C ATOM 1086 CG PRO A 70 5.721 -7.979 13.965 1.00 42.32 C ATOM 1087 CD PRO A 70 6.932 -8.861 14.116 1.00 72.14 C ATOM 0 HA PRO A 70 8.302 -5.953 14.403 1.00 55.34 H new ATOM 0 HB2 PRO A 70 5.505 -5.865 14.246 1.00 15.15 H new ATOM 0 HB3 PRO A 70 6.492 -6.307 12.867 1.00 15.15 H new ATOM 0 HG2 PRO A 70 5.042 -8.099 14.809 1.00 42.32 H new ATOM 0 HG3 PRO A 70 5.160 -8.234 13.066 1.00 42.32 H new ATOM 0 HD2 PRO A 70 6.702 -9.769 14.674 1.00 72.14 H new ATOM 0 HD3 PRO A 70 7.326 -9.173 13.149 1.00 72.14 H new ATOM 1095 N LYS A 71 7.796 -4.868 16.504 1.00 11.14 N ATOM 1096 CA LYS A 71 7.619 -4.238 17.819 1.00 2.25 C ATOM 1097 C LYS A 71 6.167 -3.781 18.045 1.00 41.24 C ATOM 1098 O LYS A 71 5.621 -3.935 19.142 1.00 44.11 O ATOM 1099 CB LYS A 71 8.576 -3.045 17.962 1.00 23.14 C ATOM 1100 CG LYS A 71 8.458 -2.299 19.293 1.00 50.33 C ATOM 1101 CD LYS A 71 8.784 -3.195 20.486 1.00 5.43 C ATOM 1102 CE LYS A 71 8.590 -2.455 21.807 1.00 73.20 C ATOM 1103 NZ LYS A 71 8.886 -3.314 22.981 1.00 55.35 N ATOM 0 H LYS A 71 8.425 -4.364 15.879 1.00 11.14 H new ATOM 0 HA LYS A 71 7.851 -4.985 18.578 1.00 2.25 H new ATOM 0 HB2 LYS A 71 9.600 -3.400 17.847 1.00 23.14 H new ATOM 0 HB3 LYS A 71 8.389 -2.344 17.148 1.00 23.14 H new ATOM 0 HG2 LYS A 71 9.132 -1.443 19.289 1.00 50.33 H new ATOM 0 HG3 LYS A 71 7.446 -1.908 19.400 1.00 50.33 H new ATOM 0 HD2 LYS A 71 8.146 -4.078 20.465 1.00 5.43 H new ATOM 0 HD3 LYS A 71 9.814 -3.544 20.410 1.00 5.43 H new ATOM 0 HE2 LYS A 71 9.237 -1.578 21.828 1.00 73.20 H new ATOM 0 HE3 LYS A 71 7.563 -2.095 21.872 1.00 73.20 H new ATOM 0 HZ1 LYS A 71 8.741 -2.769 23.855 1.00 55.35 H new ATOM 0 HZ2 LYS A 71 8.252 -4.138 22.977 1.00 55.35 H new ATOM 0 HZ3 LYS A 71 9.873 -3.637 22.935 1.00 55.35 H new ATOM 1117 N ALA A 72 5.547 -3.216 17.010 1.00 51.11 N ATOM 1118 CA ALA A 72 4.160 -2.740 17.103 1.00 3.01 C ATOM 1119 C ALA A 72 3.151 -3.880 16.868 1.00 31.31 C ATOM 1120 O ALA A 72 3.163 -4.521 15.817 1.00 2.25 O ATOM 1121 CB ALA A 72 3.926 -1.613 16.102 1.00 72.35 C ATOM 0 H ALA A 72 5.979 -3.075 16.097 1.00 51.11 H new ATOM 0 HA ALA A 72 4.003 -2.363 18.114 1.00 3.01 H new ATOM 0 HB1 ALA A 72 2.895 -1.267 16.178 1.00 72.35 H new ATOM 0 HB2 ALA A 72 4.603 -0.787 16.319 1.00 72.35 H new ATOM 0 HB3 ALA A 72 4.112 -1.979 15.092 1.00 72.35 H new ATOM 1127 N PRO A 73 2.260 -4.152 17.848 1.00 11.23 N ATOM 1128 CA PRO A 73 1.248 -5.214 17.720 1.00 62.13 C ATOM 1129 C PRO A 73 0.216 -4.921 16.613 1.00 63.12 C ATOM 1130 O PRO A 73 -0.570 -3.976 16.710 1.00 3.32 O ATOM 1131 CB PRO A 73 0.579 -5.241 19.105 1.00 13.43 C ATOM 1132 CG PRO A 73 0.830 -3.886 19.680 1.00 62.34 C ATOM 1133 CD PRO A 73 2.173 -3.459 19.150 1.00 3.33 C ATOM 0 HA PRO A 73 1.693 -6.167 17.433 1.00 62.13 H new ATOM 0 HB2 PRO A 73 -0.489 -5.444 19.024 1.00 13.43 H new ATOM 0 HB3 PRO A 73 1.005 -6.022 19.734 1.00 13.43 H new ATOM 0 HG2 PRO A 73 0.051 -3.184 19.382 1.00 62.34 H new ATOM 0 HG3 PRO A 73 0.831 -3.917 20.770 1.00 62.34 H new ATOM 0 HD2 PRO A 73 2.234 -2.377 19.035 1.00 3.33 H new ATOM 0 HD3 PRO A 73 2.982 -3.755 19.818 1.00 3.33 H new ATOM 1141 N ALA A 74 0.231 -5.743 15.562 1.00 24.22 N ATOM 1142 CA ALA A 74 -0.665 -5.568 14.411 1.00 33.31 C ATOM 1143 C ALA A 74 -2.149 -5.576 14.816 1.00 3.42 C ATOM 1144 O ALA A 74 -2.660 -6.572 15.336 1.00 14.52 O ATOM 1145 CB ALA A 74 -0.397 -6.653 13.372 1.00 72.34 C ATOM 0 H ALA A 74 0.858 -6.543 15.482 1.00 24.22 H new ATOM 0 HA ALA A 74 -0.455 -4.588 13.982 1.00 33.31 H new ATOM 0 HB1 ALA A 74 -1.065 -6.516 12.522 1.00 72.34 H new ATOM 0 HB2 ALA A 74 0.637 -6.586 13.035 1.00 72.34 H new ATOM 0 HB3 ALA A 74 -0.571 -7.633 13.816 1.00 72.34 H new ATOM 1151 N ALA A 75 -2.830 -4.455 14.578 1.00 64.25 N ATOM 1152 CA ALA A 75 -4.261 -4.320 14.888 1.00 65.41 C ATOM 1153 C ALA A 75 -5.135 -4.440 13.620 1.00 44.14 C ATOM 1154 O ALA A 75 -5.354 -3.418 12.934 1.00 37.31 O ATOM 1155 CB ALA A 75 -4.520 -2.990 15.598 1.00 25.00 C ATOM 1156 OXT ALA A 75 -5.607 -5.562 13.319 1.00 37.31 O ATOM 0 H ALA A 75 -2.413 -3.619 14.168 1.00 64.25 H new ATOM 0 HA ALA A 75 -4.539 -5.139 15.552 1.00 65.41 H new ATOM 0 HB1 ALA A 75 -5.582 -2.899 15.824 1.00 25.00 H new ATOM 0 HB2 ALA A 75 -3.948 -2.955 16.525 1.00 25.00 H new ATOM 0 HB3 ALA A 75 -4.214 -2.167 14.952 1.00 25.00 H new TER 1162 ALA A 75