USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 33 THR OG1 : rot 69:sc= 0.604 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -167:sc= -0.0215 (180deg=-1.39) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0463 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 38:sc= 0.279 USER MOD Single : A 5 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.38) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00846 X(o=-0.0085,f=-0.0085) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.72) USER MOD Single : A 11 SER OG : rot 50:sc= 0.212 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.2) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 23 MET CE :methyl -162:sc= -0.115 (180deg=-0.509) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.243 F(o=-0.47,f=0.24) USER MOD Single : A 27 MET CE :methyl 140:sc= -0.0182 (180deg=-0.175) USER MOD Single : A 30 HIS : no HE2:sc= -0.0772 K(o=-0.077,f=-2.2) USER MOD Single : A 36 SER OG : rot -17:sc= 0.0581 USER MOD Single : A 39 SER OG : rot 81:sc= 1.2 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0561 USER MOD Single : A 50 SER OG : rot 180:sc= -0.894 USER MOD Single : A 52 MET CE :methyl -164:sc= -0.071 (180deg=-0.469) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 85:sc= 0.984 USER MOD Single : A 66 SER OG : rot -78:sc= 0.614 USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= 0.14 (180deg=-0.0323) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 87 THR OG1 : rot 115:sc= 1.06 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0149) USER MOD Single : A 98 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0.027) USER MOD Single : A 103 SER OG : rot 45:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.445 -21.728 -61.578 1.00 0.00 N ATOM 2 CA MET A 1 -4.601 -22.640 -61.733 1.00 0.00 C ATOM 3 C MET A 1 -4.949 -23.262 -60.368 1.00 0.00 C ATOM 4 O MET A 1 -4.184 -24.087 -59.848 1.00 0.00 O ATOM 5 CB MET A 1 -4.279 -23.740 -62.782 1.00 0.00 C ATOM 6 CG MET A 1 -5.453 -24.674 -63.122 1.00 0.00 C ATOM 7 SD MET A 1 -5.000 -25.981 -64.291 1.00 0.00 S ATOM 8 CE MET A 1 -4.521 -25.054 -65.749 1.00 0.00 C ATOM 0 H1 MET A 1 -3.209 -21.307 -62.499 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.686 -20.973 -60.904 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.627 -22.262 -61.221 1.00 0.00 H new ATOM 0 HA MET A 1 -5.464 -22.078 -62.091 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.939 -23.259 -63.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.450 -24.343 -62.412 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.827 -25.128 -62.204 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.269 -24.085 -63.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.463 -25.727 -66.605 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.261 -24.279 -65.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.548 -24.592 -65.583 1.00 0.00 H new ATOM 20 N GLY A 2 -6.089 -22.838 -59.786 1.00 0.00 N ATOM 21 CA GLY A 2 -6.539 -23.314 -58.476 1.00 0.00 C ATOM 22 C GLY A 2 -6.256 -22.297 -57.370 1.00 0.00 C ATOM 23 O GLY A 2 -6.625 -21.124 -57.503 1.00 0.00 O ATOM 0 H GLY A 2 -6.717 -22.158 -60.215 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.608 -23.521 -58.513 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.040 -24.254 -58.241 1.00 0.00 H new ATOM 27 N SER A 3 -5.590 -22.741 -56.286 1.00 0.00 N ATOM 28 CA SER A 3 -5.250 -21.897 -55.127 1.00 0.00 C ATOM 29 C SER A 3 -3.802 -22.182 -54.682 1.00 0.00 C ATOM 30 O SER A 3 -3.526 -23.207 -54.032 1.00 0.00 O ATOM 31 CB SER A 3 -6.243 -22.161 -53.963 1.00 0.00 C ATOM 32 OG SER A 3 -7.579 -21.920 -54.366 1.00 0.00 O ATOM 0 H SER A 3 -5.271 -23.705 -56.191 1.00 0.00 H new ATOM 0 HA SER A 3 -5.328 -20.848 -55.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.143 -23.192 -53.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.994 -21.521 -53.117 1.00 0.00 H new ATOM 0 HG SER A 3 -8.184 -22.095 -53.615 1.00 0.00 H new ATOM 38 N SER A 4 -2.868 -21.300 -55.087 1.00 0.00 N ATOM 39 CA SER A 4 -1.465 -21.362 -54.660 1.00 0.00 C ATOM 40 C SER A 4 -1.338 -20.748 -53.255 1.00 0.00 C ATOM 41 O SER A 4 -1.603 -19.557 -53.071 1.00 0.00 O ATOM 42 CB SER A 4 -0.560 -20.620 -55.678 1.00 0.00 C ATOM 43 OG SER A 4 -0.980 -19.275 -55.872 1.00 0.00 O ATOM 0 H SER A 4 -3.069 -20.526 -55.720 1.00 0.00 H new ATOM 0 HA SER A 4 -1.138 -22.401 -54.622 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.471 -20.632 -55.325 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.576 -21.148 -56.632 1.00 0.00 H new ATOM 0 HG SER A 4 -1.280 -18.900 -55.018 1.00 0.00 H new ATOM 49 N HIS A 5 -0.978 -21.581 -52.268 1.00 0.00 N ATOM 50 CA HIS A 5 -0.781 -21.148 -50.877 1.00 0.00 C ATOM 51 C HIS A 5 0.668 -20.651 -50.725 1.00 0.00 C ATOM 52 O HIS A 5 0.914 -19.465 -50.925 1.00 0.00 O ATOM 53 CB HIS A 5 -1.113 -22.300 -49.898 1.00 0.00 C ATOM 54 CG HIS A 5 -2.524 -22.808 -49.996 1.00 0.00 C ATOM 55 ND1 HIS A 5 -2.976 -23.565 -51.057 1.00 0.00 N ATOM 56 CD2 HIS A 5 -3.580 -22.681 -49.157 1.00 0.00 C ATOM 57 CE1 HIS A 5 -4.234 -23.881 -50.863 1.00 0.00 C ATOM 58 NE2 HIS A 5 -4.624 -23.357 -49.716 1.00 0.00 N ATOM 0 H HIS A 5 -0.815 -22.577 -52.412 1.00 0.00 H new ATOM 0 HA HIS A 5 -1.458 -20.330 -50.631 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.428 -23.127 -50.083 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.932 -21.958 -48.879 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -3.593 -22.144 -48.220 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.847 -24.470 -51.529 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.557 -23.444 -49.312 1.00 0.00 H new ATOM 67 N ASP A 6 1.621 -21.580 -50.428 1.00 0.00 N ATOM 68 CA ASP A 6 3.091 -21.320 -50.457 1.00 0.00 C ATOM 69 C ASP A 6 3.537 -20.202 -49.487 1.00 0.00 C ATOM 70 O ASP A 6 4.627 -19.641 -49.632 1.00 0.00 O ATOM 71 CB ASP A 6 3.554 -21.009 -51.915 1.00 0.00 C ATOM 72 CG ASP A 6 3.252 -22.159 -52.899 1.00 0.00 C ATOM 73 OD1 ASP A 6 2.103 -22.254 -53.400 1.00 0.00 O ATOM 74 OD2 ASP A 6 4.147 -22.997 -53.146 1.00 0.00 O ATOM 0 H ASP A 6 1.389 -22.537 -50.160 1.00 0.00 H new ATOM 0 HA ASP A 6 3.577 -22.231 -50.108 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.060 -20.101 -52.262 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.625 -20.809 -51.916 1.00 0.00 H new ATOM 79 N HIS A 7 2.696 -19.912 -48.479 1.00 0.00 N ATOM 80 CA HIS A 7 2.941 -18.838 -47.493 1.00 0.00 C ATOM 81 C HIS A 7 3.237 -19.436 -46.111 1.00 0.00 C ATOM 82 O HIS A 7 3.135 -20.648 -45.906 1.00 0.00 O ATOM 83 CB HIS A 7 1.720 -17.879 -47.419 1.00 0.00 C ATOM 84 CG HIS A 7 1.355 -17.224 -48.725 1.00 0.00 C ATOM 85 ND1 HIS A 7 0.055 -16.966 -49.090 1.00 0.00 N ATOM 86 CD2 HIS A 7 2.120 -16.796 -49.766 1.00 0.00 C ATOM 87 CE1 HIS A 7 0.033 -16.418 -50.284 1.00 0.00 C ATOM 88 NE2 HIS A 7 1.272 -16.301 -50.724 1.00 0.00 N ATOM 0 H HIS A 7 1.823 -20.416 -48.322 1.00 0.00 H new ATOM 0 HA HIS A 7 3.811 -18.266 -47.815 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.858 -18.438 -47.055 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.930 -17.102 -46.684 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.197 -16.838 -49.827 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.854 -16.113 -50.818 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.551 -15.909 -51.623 1.00 0.00 H new ATOM 97 N HIS A 8 3.608 -18.561 -45.174 1.00 0.00 N ATOM 98 CA HIS A 8 3.911 -18.917 -43.783 1.00 0.00 C ATOM 99 C HIS A 8 3.527 -17.728 -42.881 1.00 0.00 C ATOM 100 O HIS A 8 3.868 -16.576 -43.174 1.00 0.00 O ATOM 101 CB HIS A 8 5.415 -19.286 -43.626 1.00 0.00 C ATOM 102 CG HIS A 8 6.376 -18.165 -43.945 1.00 0.00 C ATOM 103 ND1 HIS A 8 6.969 -17.384 -42.979 1.00 0.00 N ATOM 104 CD2 HIS A 8 6.814 -17.679 -45.134 1.00 0.00 C ATOM 105 CE1 HIS A 8 7.720 -16.471 -43.555 1.00 0.00 C ATOM 106 NE2 HIS A 8 7.647 -16.628 -44.858 1.00 0.00 N ATOM 0 H HIS A 8 3.709 -17.564 -45.363 1.00 0.00 H new ATOM 0 HA HIS A 8 3.335 -19.794 -43.488 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.589 -19.615 -42.602 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.637 -20.133 -44.275 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.554 -18.051 -46.114 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.300 -15.718 -43.043 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.132 -16.059 -45.551 1.00 0.00 H new ATOM 115 N HIS A 9 2.796 -18.014 -41.799 1.00 0.00 N ATOM 116 CA HIS A 9 2.293 -16.981 -40.872 1.00 0.00 C ATOM 117 C HIS A 9 3.343 -16.626 -39.803 1.00 0.00 C ATOM 118 O HIS A 9 3.254 -15.551 -39.194 1.00 0.00 O ATOM 119 CB HIS A 9 0.982 -17.465 -40.206 1.00 0.00 C ATOM 120 CG HIS A 9 -0.137 -17.747 -41.176 1.00 0.00 C ATOM 121 ND1 HIS A 9 -0.863 -18.919 -41.169 1.00 0.00 N ATOM 122 CD2 HIS A 9 -0.662 -16.995 -42.173 1.00 0.00 C ATOM 123 CE1 HIS A 9 -1.776 -18.873 -42.115 1.00 0.00 C ATOM 124 NE2 HIS A 9 -1.676 -17.718 -42.739 1.00 0.00 N ATOM 0 H HIS A 9 2.534 -18.964 -41.537 1.00 0.00 H new ATOM 0 HA HIS A 9 2.090 -16.077 -41.446 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.190 -18.370 -39.636 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.649 -16.710 -39.494 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -0.340 -16.007 -42.467 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.488 -19.652 -42.342 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.260 -17.412 -43.518 1.00 0.00 H new ATOM 133 N HIS A 10 4.328 -17.535 -39.594 1.00 0.00 N ATOM 134 CA HIS A 10 5.377 -17.410 -38.561 1.00 0.00 C ATOM 135 C HIS A 10 4.747 -17.333 -37.155 1.00 0.00 C ATOM 136 O HIS A 10 4.461 -16.238 -36.648 1.00 0.00 O ATOM 137 CB HIS A 10 6.316 -16.192 -38.848 1.00 0.00 C ATOM 138 CG HIS A 10 7.394 -15.960 -37.810 1.00 0.00 C ATOM 139 ND1 HIS A 10 7.459 -14.820 -37.037 1.00 0.00 N ATOM 140 CD2 HIS A 10 8.446 -16.725 -37.424 1.00 0.00 C ATOM 141 CE1 HIS A 10 8.494 -14.894 -36.231 1.00 0.00 C ATOM 142 NE2 HIS A 10 9.111 -16.034 -36.442 1.00 0.00 N ATOM 0 H HIS A 10 4.414 -18.387 -40.149 1.00 0.00 H new ATOM 0 HA HIS A 10 6.000 -18.304 -38.596 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.791 -16.339 -39.818 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.706 -15.292 -38.925 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.711 -17.696 -37.816 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.789 -14.142 -35.514 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.948 -16.354 -35.955 1.00 0.00 H new ATOM 151 N SER A 11 4.497 -18.511 -36.553 1.00 0.00 N ATOM 152 CA SER A 11 3.874 -18.626 -35.226 1.00 0.00 C ATOM 153 C SER A 11 4.913 -18.357 -34.112 1.00 0.00 C ATOM 154 O SER A 11 5.398 -19.279 -33.446 1.00 0.00 O ATOM 155 CB SER A 11 3.214 -20.023 -35.091 1.00 0.00 C ATOM 156 OG SER A 11 4.161 -21.059 -35.326 1.00 0.00 O ATOM 0 H SER A 11 4.723 -19.411 -36.977 1.00 0.00 H new ATOM 0 HA SER A 11 3.095 -17.872 -35.115 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.789 -20.133 -34.093 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.391 -20.110 -35.800 1.00 0.00 H new ATOM 0 HG SER A 11 4.961 -20.900 -34.783 1.00 0.00 H new ATOM 162 N SER A 12 5.262 -17.065 -33.955 1.00 0.00 N ATOM 163 CA SER A 12 6.253 -16.569 -32.981 1.00 0.00 C ATOM 164 C SER A 12 6.297 -15.037 -33.055 1.00 0.00 C ATOM 165 O SER A 12 5.849 -14.444 -34.046 1.00 0.00 O ATOM 166 CB SER A 12 7.664 -17.153 -33.253 1.00 0.00 C ATOM 167 OG SER A 12 8.607 -16.709 -32.293 1.00 0.00 O ATOM 0 H SER A 12 4.852 -16.319 -34.517 1.00 0.00 H new ATOM 0 HA SER A 12 5.952 -16.891 -31.984 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.616 -18.242 -33.240 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.994 -16.860 -34.250 1.00 0.00 H new ATOM 0 HG SER A 12 9.485 -17.097 -32.493 1.00 0.00 H new ATOM 173 N GLY A 13 6.844 -14.404 -32.010 1.00 0.00 N ATOM 174 CA GLY A 13 6.998 -12.955 -31.973 1.00 0.00 C ATOM 175 C GLY A 13 7.408 -12.465 -30.597 1.00 0.00 C ATOM 176 O GLY A 13 8.563 -12.072 -30.383 1.00 0.00 O ATOM 0 H GLY A 13 7.188 -14.881 -31.177 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.746 -12.651 -32.705 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.059 -12.483 -32.262 1.00 0.00 H new ATOM 180 N ARG A 14 6.455 -12.507 -29.653 1.00 0.00 N ATOM 181 CA ARG A 14 6.633 -11.965 -28.291 1.00 0.00 C ATOM 182 C ARG A 14 6.195 -12.985 -27.231 1.00 0.00 C ATOM 183 O ARG A 14 5.372 -13.873 -27.501 1.00 0.00 O ATOM 184 CB ARG A 14 5.844 -10.633 -28.128 1.00 0.00 C ATOM 185 CG ARG A 14 6.433 -9.443 -28.917 1.00 0.00 C ATOM 186 CD ARG A 14 5.608 -8.157 -28.772 1.00 0.00 C ATOM 187 NE ARG A 14 5.497 -7.706 -27.373 1.00 0.00 N ATOM 188 CZ ARG A 14 5.037 -6.504 -26.985 1.00 0.00 C ATOM 189 NH1 ARG A 14 4.705 -5.576 -27.876 1.00 0.00 N ATOM 190 NH2 ARG A 14 4.933 -6.230 -25.697 1.00 0.00 N ATOM 0 H ARG A 14 5.535 -12.919 -29.810 1.00 0.00 H new ATOM 0 HA ARG A 14 7.693 -11.761 -28.143 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.815 -10.793 -28.449 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.811 -10.371 -27.070 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.450 -9.255 -28.574 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.496 -9.710 -29.972 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.066 -7.368 -29.368 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.609 -8.324 -29.176 1.00 0.00 H new ATOM 0 HE ARG A 14 5.792 -8.355 -26.644 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.797 -5.770 -28.873 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.358 -4.670 -27.563 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.201 -6.929 -25.004 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.585 -5.320 -25.396 1.00 0.00 H new ATOM 204 N GLU A 15 6.759 -12.834 -26.019 1.00 0.00 N ATOM 205 CA GLU A 15 6.508 -13.722 -24.873 1.00 0.00 C ATOM 206 C GLU A 15 6.864 -12.984 -23.559 1.00 0.00 C ATOM 207 O GLU A 15 8.006 -13.027 -23.092 1.00 0.00 O ATOM 208 CB GLU A 15 7.287 -15.073 -25.027 1.00 0.00 C ATOM 209 CG GLU A 15 8.778 -14.928 -25.419 1.00 0.00 C ATOM 210 CD GLU A 15 9.550 -16.259 -25.421 1.00 0.00 C ATOM 211 OE1 GLU A 15 9.437 -17.029 -26.398 1.00 0.00 O ATOM 212 OE2 GLU A 15 10.276 -16.542 -24.444 1.00 0.00 O ATOM 0 H GLU A 15 7.412 -12.080 -25.807 1.00 0.00 H new ATOM 0 HA GLU A 15 5.449 -13.979 -24.839 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.226 -15.620 -24.086 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.786 -15.680 -25.781 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.842 -14.480 -26.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.261 -14.239 -24.726 1.00 0.00 H new ATOM 219 N ASN A 16 5.874 -12.258 -22.995 1.00 0.00 N ATOM 220 CA ASN A 16 6.020 -11.582 -21.682 1.00 0.00 C ATOM 221 C ASN A 16 6.033 -12.640 -20.562 1.00 0.00 C ATOM 222 O ASN A 16 6.972 -12.712 -19.767 1.00 0.00 O ATOM 223 CB ASN A 16 4.869 -10.561 -21.456 1.00 0.00 C ATOM 224 CG ASN A 16 4.924 -9.859 -20.091 1.00 0.00 C ATOM 225 OD1 ASN A 16 5.992 -9.646 -19.528 1.00 0.00 O ATOM 226 ND2 ASN A 16 3.772 -9.493 -19.550 1.00 0.00 N ATOM 0 H ASN A 16 4.961 -12.123 -23.429 1.00 0.00 H new ATOM 0 HA ASN A 16 6.961 -11.032 -21.668 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.904 -9.808 -22.243 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.914 -11.077 -21.551 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.760 -9.023 -18.645 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.897 -9.681 -20.038 1.00 0.00 H new ATOM 233 N LEU A 17 4.970 -13.447 -20.525 1.00 0.00 N ATOM 234 CA LEU A 17 4.850 -14.617 -19.636 1.00 0.00 C ATOM 235 C LEU A 17 4.574 -15.854 -20.501 1.00 0.00 C ATOM 236 O LEU A 17 5.103 -16.935 -20.238 1.00 0.00 O ATOM 237 CB LEU A 17 3.706 -14.416 -18.597 1.00 0.00 C ATOM 238 CG LEU A 17 3.469 -15.604 -17.602 1.00 0.00 C ATOM 239 CD1 LEU A 17 4.706 -15.860 -16.706 1.00 0.00 C ATOM 240 CD2 LEU A 17 2.193 -15.381 -16.753 1.00 0.00 C ATOM 0 H LEU A 17 4.153 -13.308 -21.119 1.00 0.00 H new ATOM 0 HA LEU A 17 5.778 -14.747 -19.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.922 -13.519 -18.017 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.778 -14.230 -19.138 1.00 0.00 H new ATOM 0 HG LEU A 17 3.315 -16.501 -18.201 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.501 -16.691 -16.031 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.564 -16.104 -17.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.925 -14.965 -16.124 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.057 -16.222 -16.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.296 -14.462 -16.177 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.327 -15.302 -17.411 1.00 0.00 H new ATOM 252 N TYR A 18 3.710 -15.652 -21.523 1.00 0.00 N ATOM 253 CA TYR A 18 3.319 -16.676 -22.512 1.00 0.00 C ATOM 254 C TYR A 18 2.490 -17.803 -21.834 1.00 0.00 C ATOM 255 O TYR A 18 2.346 -18.902 -22.382 1.00 0.00 O ATOM 256 CB TYR A 18 4.582 -17.219 -23.266 1.00 0.00 C ATOM 257 CG TYR A 18 4.283 -17.896 -24.617 1.00 0.00 C ATOM 258 CD1 TYR A 18 3.944 -17.131 -25.740 1.00 0.00 C ATOM 259 CD2 TYR A 18 4.322 -19.287 -24.767 1.00 0.00 C ATOM 260 CE1 TYR A 18 3.657 -17.733 -26.955 1.00 0.00 C ATOM 261 CE2 TYR A 18 4.030 -19.889 -25.976 1.00 0.00 C ATOM 262 CZ TYR A 18 3.702 -19.111 -27.064 1.00 0.00 C ATOM 263 OH TYR A 18 3.402 -19.714 -28.268 1.00 0.00 O ATOM 0 H TYR A 18 3.257 -14.752 -21.684 1.00 0.00 H new ATOM 0 HA TYR A 18 2.673 -16.222 -23.264 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.272 -16.392 -23.434 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.093 -17.934 -22.622 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.906 -16.055 -25.658 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.586 -19.903 -23.920 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.399 -17.129 -27.812 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.059 -20.965 -26.067 1.00 0.00 H new ATOM 0 HH TYR A 18 3.482 -20.686 -28.176 1.00 0.00 H new ATOM 273 N PHE A 19 1.894 -17.474 -20.656 1.00 0.00 N ATOM 274 CA PHE A 19 1.123 -18.415 -19.799 1.00 0.00 C ATOM 275 C PHE A 19 2.012 -19.573 -19.281 1.00 0.00 C ATOM 276 O PHE A 19 1.511 -20.652 -18.939 1.00 0.00 O ATOM 277 CB PHE A 19 -0.149 -18.950 -20.538 1.00 0.00 C ATOM 278 CG PHE A 19 -1.115 -17.848 -20.989 1.00 0.00 C ATOM 279 CD1 PHE A 19 -1.967 -17.232 -20.076 1.00 0.00 C ATOM 280 CD2 PHE A 19 -1.165 -17.429 -22.321 1.00 0.00 C ATOM 281 CE1 PHE A 19 -2.835 -16.232 -20.477 1.00 0.00 C ATOM 282 CE2 PHE A 19 -2.031 -16.428 -22.719 1.00 0.00 C ATOM 283 CZ PHE A 19 -2.867 -15.832 -21.798 1.00 0.00 C ATOM 0 H PHE A 19 1.937 -16.531 -20.269 1.00 0.00 H new ATOM 0 HA PHE A 19 0.782 -17.857 -18.927 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.164 -19.524 -21.410 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.679 -19.636 -19.878 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.950 -17.539 -19.041 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.518 -17.894 -23.050 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.488 -15.764 -19.756 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.053 -16.112 -23.752 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.546 -15.053 -22.110 1.00 0.00 H new ATOM 293 N GLN A 20 3.337 -19.316 -19.200 1.00 0.00 N ATOM 294 CA GLN A 20 4.331 -20.318 -18.782 1.00 0.00 C ATOM 295 C GLN A 20 4.384 -20.380 -17.242 1.00 0.00 C ATOM 296 O GLN A 20 5.006 -19.528 -16.586 1.00 0.00 O ATOM 297 CB GLN A 20 5.714 -19.967 -19.419 1.00 0.00 C ATOM 298 CG GLN A 20 6.779 -21.094 -19.433 1.00 0.00 C ATOM 299 CD GLN A 20 7.411 -21.383 -18.065 1.00 0.00 C ATOM 300 OE1 GLN A 20 6.953 -22.262 -17.322 1.00 0.00 O ATOM 301 NE2 GLN A 20 8.473 -20.663 -17.728 1.00 0.00 N ATOM 0 H GLN A 20 3.742 -18.407 -19.423 1.00 0.00 H new ATOM 0 HA GLN A 20 4.051 -21.311 -19.134 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.544 -19.646 -20.447 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.129 -19.113 -18.883 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.319 -22.008 -19.808 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.568 -20.824 -20.135 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.826 -19.946 -18.362 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.937 -20.826 -16.834 1.00 0.00 H new ATOM 310 N GLY A 21 3.674 -21.381 -16.687 1.00 0.00 N ATOM 311 CA GLY A 21 3.674 -21.657 -15.254 1.00 0.00 C ATOM 312 C GLY A 21 2.849 -20.658 -14.454 1.00 0.00 C ATOM 313 O GLY A 21 1.616 -20.731 -14.454 1.00 0.00 O ATOM 0 H GLY A 21 3.087 -22.016 -17.228 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.284 -22.661 -15.083 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.701 -21.647 -14.888 1.00 0.00 H new ATOM 317 N HIS A 22 3.536 -19.703 -13.794 1.00 0.00 N ATOM 318 CA HIS A 22 2.907 -18.698 -12.899 1.00 0.00 C ATOM 319 C HIS A 22 3.647 -17.353 -12.982 1.00 0.00 C ATOM 320 O HIS A 22 4.741 -17.259 -13.549 1.00 0.00 O ATOM 321 CB HIS A 22 2.894 -19.195 -11.416 1.00 0.00 C ATOM 322 CG HIS A 22 1.926 -20.311 -11.116 1.00 0.00 C ATOM 323 ND1 HIS A 22 2.287 -21.473 -10.469 1.00 0.00 N ATOM 324 CD2 HIS A 22 0.599 -20.428 -11.372 1.00 0.00 C ATOM 325 CE1 HIS A 22 1.229 -22.242 -10.329 1.00 0.00 C ATOM 326 NE2 HIS A 22 0.194 -21.637 -10.871 1.00 0.00 N ATOM 0 H HIS A 22 4.549 -19.603 -13.864 1.00 0.00 H new ATOM 0 HA HIS A 22 1.879 -18.561 -13.234 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.898 -19.528 -11.153 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.659 -18.350 -10.769 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.022 -19.703 -11.877 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.213 -23.209 -9.849 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.755 -22.008 -10.912 1.00 0.00 H new ATOM 335 N MET A 23 3.021 -16.320 -12.395 1.00 0.00 N ATOM 336 CA MET A 23 3.615 -14.980 -12.240 1.00 0.00 C ATOM 337 C MET A 23 4.486 -14.953 -10.959 1.00 0.00 C ATOM 338 O MET A 23 4.205 -15.719 -10.029 1.00 0.00 O ATOM 339 CB MET A 23 2.485 -13.911 -12.145 1.00 0.00 C ATOM 340 CG MET A 23 1.527 -13.879 -13.346 1.00 0.00 C ATOM 341 SD MET A 23 0.194 -12.669 -13.171 1.00 0.00 S ATOM 342 CE MET A 23 -0.671 -13.274 -11.717 1.00 0.00 C ATOM 0 H MET A 23 2.079 -16.391 -12.011 1.00 0.00 H new ATOM 0 HA MET A 23 4.240 -14.753 -13.104 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.905 -14.095 -11.240 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.942 -12.928 -12.036 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.095 -13.654 -14.249 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.093 -14.870 -13.481 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.669 -12.837 -11.679 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.752 -14.360 -11.767 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.117 -12.993 -10.821 1.00 0.00 H new ATOM 352 N PRO A 24 5.568 -14.094 -10.880 1.00 0.00 N ATOM 353 CA PRO A 24 6.367 -13.929 -9.633 1.00 0.00 C ATOM 354 C PRO A 24 5.526 -13.276 -8.498 1.00 0.00 C ATOM 355 O PRO A 24 5.504 -12.051 -8.327 1.00 0.00 O ATOM 356 CB PRO A 24 7.565 -13.048 -10.089 1.00 0.00 C ATOM 357 CG PRO A 24 7.056 -12.305 -11.288 1.00 0.00 C ATOM 358 CD PRO A 24 6.107 -13.254 -11.991 1.00 0.00 C ATOM 0 HA PRO A 24 6.698 -14.873 -9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.875 -12.362 -9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.432 -13.658 -10.340 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.545 -11.389 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.876 -12.014 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.313 -12.717 -12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.623 -13.858 -12.737 1.00 0.00 H new ATOM 366 N ASN A 25 4.782 -14.129 -7.772 1.00 0.00 N ATOM 367 CA ASN A 25 3.843 -13.707 -6.725 1.00 0.00 C ATOM 368 C ASN A 25 4.551 -13.594 -5.358 1.00 0.00 C ATOM 369 O ASN A 25 4.712 -14.585 -4.636 1.00 0.00 O ATOM 370 CB ASN A 25 2.599 -14.653 -6.688 1.00 0.00 C ATOM 371 CG ASN A 25 2.942 -16.150 -6.617 1.00 0.00 C ATOM 372 OD1 ASN A 25 3.058 -16.688 -5.415 1.00 0.00 O flip ATOM 373 ND2 ASN A 25 3.110 -16.807 -7.644 1.00 0.00 N flip ATOM 0 H ASN A 25 4.818 -15.140 -7.899 1.00 0.00 H new ATOM 0 HA ASN A 25 3.475 -12.709 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.985 -14.392 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.994 -14.473 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.013 -16.361 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.346 -17.797 -7.583 1.00 0.00 H new ATOM 380 N ASP A 26 5.027 -12.367 -5.037 1.00 0.00 N ATOM 381 CA ASP A 26 5.655 -12.058 -3.733 1.00 0.00 C ATOM 382 C ASP A 26 5.784 -10.537 -3.517 1.00 0.00 C ATOM 383 O ASP A 26 6.074 -9.806 -4.463 1.00 0.00 O ATOM 384 CB ASP A 26 7.043 -12.749 -3.596 1.00 0.00 C ATOM 385 CG ASP A 26 7.689 -12.542 -2.219 1.00 0.00 C ATOM 386 OD1 ASP A 26 7.043 -12.881 -1.202 1.00 0.00 O ATOM 387 OD2 ASP A 26 8.824 -12.019 -2.143 1.00 0.00 O ATOM 0 H ASP A 26 4.986 -11.569 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 26 5.000 -12.455 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.929 -13.817 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.711 -12.363 -4.365 1.00 0.00 H new ATOM 392 N MET A 27 5.582 -10.120 -2.240 1.00 0.00 N ATOM 393 CA MET A 27 5.589 -8.716 -1.737 1.00 0.00 C ATOM 394 C MET A 27 4.890 -7.726 -2.692 1.00 0.00 C ATOM 395 O MET A 27 3.730 -7.380 -2.466 1.00 0.00 O ATOM 396 CB MET A 27 7.024 -8.218 -1.373 1.00 0.00 C ATOM 397 CG MET A 27 7.065 -7.104 -0.292 1.00 0.00 C ATOM 398 SD MET A 27 6.129 -5.606 -0.696 1.00 0.00 S ATOM 399 CE MET A 27 7.242 -4.716 -1.792 1.00 0.00 C ATOM 0 H MET A 27 5.400 -10.788 -1.491 1.00 0.00 H new ATOM 0 HA MET A 27 5.003 -8.740 -0.818 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.612 -9.067 -1.024 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.506 -7.847 -2.277 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.681 -7.512 0.643 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.105 -6.828 -0.116 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.670 -4.265 -2.603 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.756 -3.935 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.975 -5.408 -2.206 1.00 0.00 H new ATOM 409 N GLU A 28 5.619 -7.300 -3.760 1.00 0.00 N ATOM 410 CA GLU A 28 5.126 -6.336 -4.762 1.00 0.00 C ATOM 411 C GLU A 28 3.792 -6.792 -5.356 1.00 0.00 C ATOM 412 O GLU A 28 2.848 -6.021 -5.391 1.00 0.00 O ATOM 413 CB GLU A 28 6.148 -6.114 -5.915 1.00 0.00 C ATOM 414 CG GLU A 28 7.493 -5.493 -5.484 1.00 0.00 C ATOM 415 CD GLU A 28 8.333 -4.999 -6.671 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.121 -5.789 -7.239 1.00 0.00 O ATOM 417 OE2 GLU A 28 8.176 -3.816 -7.065 1.00 0.00 O ATOM 0 H GLU A 28 6.569 -7.622 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 28 4.987 -5.391 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.345 -7.073 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.691 -5.469 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.302 -4.659 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.065 -6.232 -4.924 1.00 0.00 H new ATOM 424 N ASP A 29 3.740 -8.061 -5.771 1.00 0.00 N ATOM 425 CA ASP A 29 2.560 -8.664 -6.420 1.00 0.00 C ATOM 426 C ASP A 29 1.304 -8.527 -5.536 1.00 0.00 C ATOM 427 O ASP A 29 0.242 -8.115 -6.021 1.00 0.00 O ATOM 428 CB ASP A 29 2.839 -10.151 -6.744 1.00 0.00 C ATOM 429 CG ASP A 29 1.619 -10.903 -7.313 1.00 0.00 C ATOM 430 OD1 ASP A 29 1.384 -10.852 -8.538 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.874 -11.528 -6.527 1.00 0.00 O ATOM 0 H ASP A 29 4.521 -8.709 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 29 2.369 -8.128 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.657 -10.210 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.174 -10.654 -5.837 1.00 0.00 H new ATOM 436 N HIS A 30 1.440 -8.857 -4.239 1.00 0.00 N ATOM 437 CA HIS A 30 0.323 -8.766 -3.285 1.00 0.00 C ATOM 438 C HIS A 30 0.019 -7.296 -2.945 1.00 0.00 C ATOM 439 O HIS A 30 -1.102 -6.976 -2.582 1.00 0.00 O ATOM 440 CB HIS A 30 0.587 -9.585 -1.991 1.00 0.00 C ATOM 441 CG HIS A 30 -0.651 -9.747 -1.141 1.00 0.00 C ATOM 442 ND1 HIS A 30 -1.640 -10.661 -1.436 1.00 0.00 N ATOM 443 CD2 HIS A 30 -1.093 -9.062 -0.061 1.00 0.00 C ATOM 444 CE1 HIS A 30 -2.629 -10.530 -0.578 1.00 0.00 C ATOM 445 NE2 HIS A 30 -2.319 -9.572 0.259 1.00 0.00 N ATOM 0 H HIS A 30 2.313 -9.189 -3.829 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.550 -9.203 -3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.969 -10.570 -2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.363 -9.092 -1.405 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -1.610 -11.335 -2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.575 -8.264 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.539 -11.112 -0.566 1.00 0.00 H new ATOM 454 N LEU A 31 1.032 -6.421 -3.068 1.00 0.00 N ATOM 455 CA LEU A 31 0.883 -4.970 -2.845 1.00 0.00 C ATOM 456 C LEU A 31 -0.018 -4.379 -3.960 1.00 0.00 C ATOM 457 O LEU A 31 -0.875 -3.533 -3.678 1.00 0.00 O ATOM 458 CB LEU A 31 2.302 -4.307 -2.771 1.00 0.00 C ATOM 459 CG LEU A 31 2.425 -2.845 -2.215 1.00 0.00 C ATOM 460 CD1 LEU A 31 1.924 -1.781 -3.212 1.00 0.00 C ATOM 461 CD2 LEU A 31 1.721 -2.709 -0.846 1.00 0.00 C ATOM 0 H LEU A 31 1.979 -6.699 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 31 0.392 -4.763 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.934 -4.948 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.723 -4.314 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 31 3.489 -2.655 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.034 -0.790 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.510 -1.838 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.874 -1.962 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.822 -1.686 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.664 -2.953 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.179 -3.393 -0.132 1.00 0.00 H new ATOM 473 N LEU A 32 0.167 -4.854 -5.218 1.00 0.00 N ATOM 474 CA LEU A 32 -0.742 -4.517 -6.338 1.00 0.00 C ATOM 475 C LEU A 32 -2.174 -5.010 -6.030 1.00 0.00 C ATOM 476 O LEU A 32 -3.139 -4.313 -6.329 1.00 0.00 O ATOM 477 CB LEU A 32 -0.269 -5.111 -7.714 1.00 0.00 C ATOM 478 CG LEU A 32 0.899 -4.388 -8.491 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.903 -2.870 -8.245 1.00 0.00 C ATOM 480 CD2 LEU A 32 2.279 -5.012 -8.210 1.00 0.00 C ATOM 0 H LEU A 32 0.937 -5.470 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.728 -3.431 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.038 -6.142 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.135 -5.143 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 32 0.698 -4.545 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.723 -2.414 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.043 -2.444 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.031 -2.674 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.043 -4.474 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.498 -4.946 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.274 -6.058 -8.515 1.00 0.00 H new ATOM 492 N THR A 33 -2.276 -6.225 -5.440 1.00 0.00 N ATOM 493 CA THR A 33 -3.564 -6.839 -5.050 1.00 0.00 C ATOM 494 C THR A 33 -4.273 -5.996 -3.963 1.00 0.00 C ATOM 495 O THR A 33 -5.496 -5.847 -3.988 1.00 0.00 O ATOM 496 CB THR A 33 -3.362 -8.309 -4.540 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.598 -9.054 -5.501 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.698 -9.037 -4.278 1.00 0.00 C ATOM 0 H THR A 33 -1.466 -6.806 -5.222 1.00 0.00 H new ATOM 0 HA THR A 33 -4.194 -6.866 -5.939 1.00 0.00 H new ATOM 0 HB THR A 33 -2.830 -8.247 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.677 -8.721 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.498 -10.049 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.265 -8.496 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.276 -9.080 -5.201 1.00 0.00 H new ATOM 506 N VAL A 34 -3.483 -5.437 -3.024 1.00 0.00 N ATOM 507 CA VAL A 34 -4.007 -4.569 -1.952 1.00 0.00 C ATOM 508 C VAL A 34 -4.644 -3.307 -2.565 1.00 0.00 C ATOM 509 O VAL A 34 -5.792 -2.985 -2.272 1.00 0.00 O ATOM 510 CB VAL A 34 -2.889 -4.165 -0.905 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.387 -3.081 0.089 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.369 -5.408 -0.136 1.00 0.00 C ATOM 0 H VAL A 34 -2.473 -5.573 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.764 -5.137 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.063 -3.737 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.588 -2.834 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.675 -2.186 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.248 -3.460 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.603 -5.101 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.195 -5.876 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.944 -6.121 -0.842 1.00 0.00 H new ATOM 522 N LEU A 35 -3.897 -2.633 -3.451 1.00 0.00 N ATOM 523 CA LEU A 35 -4.356 -1.394 -4.098 1.00 0.00 C ATOM 524 C LEU A 35 -5.577 -1.646 -5.004 1.00 0.00 C ATOM 525 O LEU A 35 -6.527 -0.886 -4.969 1.00 0.00 O ATOM 526 CB LEU A 35 -3.209 -0.749 -4.908 1.00 0.00 C ATOM 527 CG LEU A 35 -1.940 -0.352 -4.094 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.816 0.141 -5.027 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.272 0.696 -3.004 1.00 0.00 C ATOM 0 H LEU A 35 -2.964 -2.928 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.663 -0.705 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.910 -1.443 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.595 0.144 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.580 -1.246 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.057 0.411 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.549 -0.652 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.161 1.013 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.365 0.950 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.676 1.593 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.009 0.283 -2.315 1.00 0.00 H new ATOM 541 N SER A 36 -5.547 -2.750 -5.773 1.00 0.00 N ATOM 542 CA SER A 36 -6.581 -3.076 -6.771 1.00 0.00 C ATOM 543 C SER A 36 -7.953 -3.337 -6.116 1.00 0.00 C ATOM 544 O SER A 36 -8.992 -2.922 -6.641 1.00 0.00 O ATOM 545 CB SER A 36 -6.126 -4.296 -7.594 1.00 0.00 C ATOM 546 OG SER A 36 -5.911 -5.427 -6.777 1.00 0.00 O ATOM 0 H SER A 36 -4.801 -3.444 -5.719 1.00 0.00 H new ATOM 0 HA SER A 36 -6.706 -2.217 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.880 -4.529 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.207 -4.053 -8.128 1.00 0.00 H new ATOM 0 HG SER A 36 -5.826 -5.144 -5.843 1.00 0.00 H new ATOM 552 N VAL A 37 -7.926 -4.024 -4.966 1.00 0.00 N ATOM 553 CA VAL A 37 -9.126 -4.292 -4.153 1.00 0.00 C ATOM 554 C VAL A 37 -9.568 -3.007 -3.407 1.00 0.00 C ATOM 555 O VAL A 37 -10.762 -2.782 -3.190 1.00 0.00 O ATOM 556 CB VAL A 37 -8.854 -5.481 -3.147 1.00 0.00 C ATOM 557 CG1 VAL A 37 -10.039 -5.736 -2.187 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.492 -6.776 -3.919 1.00 0.00 C ATOM 0 H VAL A 37 -7.070 -4.412 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.941 -4.593 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.006 -5.183 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.795 -6.563 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.230 -4.839 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.928 -5.986 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.308 -7.583 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.317 -7.051 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.595 -6.606 -4.515 1.00 0.00 H new ATOM 568 N ALA A 38 -8.588 -2.151 -3.055 1.00 0.00 N ATOM 569 CA ALA A 38 -8.836 -0.882 -2.328 1.00 0.00 C ATOM 570 C ALA A 38 -9.209 0.286 -3.281 1.00 0.00 C ATOM 571 O ALA A 38 -9.580 1.367 -2.816 1.00 0.00 O ATOM 572 CB ALA A 38 -7.608 -0.523 -1.479 1.00 0.00 C ATOM 0 H ALA A 38 -7.603 -2.316 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.696 -1.036 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.794 0.410 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.417 -1.320 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.740 -0.404 -2.127 1.00 0.00 H new ATOM 578 N SER A 39 -9.106 0.062 -4.608 1.00 0.00 N ATOM 579 CA SER A 39 -9.442 1.074 -5.634 1.00 0.00 C ATOM 580 C SER A 39 -10.686 0.636 -6.414 1.00 0.00 C ATOM 581 O SER A 39 -11.727 1.300 -6.380 1.00 0.00 O ATOM 582 CB SER A 39 -8.253 1.269 -6.605 1.00 0.00 C ATOM 583 OG SER A 39 -7.076 1.607 -5.908 1.00 0.00 O ATOM 0 H SER A 39 -8.788 -0.825 -4.999 1.00 0.00 H new ATOM 0 HA SER A 39 -9.648 2.022 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.091 0.354 -7.175 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.491 2.053 -7.323 1.00 0.00 H new ATOM 0 HG SER A 39 -6.666 0.794 -5.546 1.00 0.00 H new ATOM 589 N GLY A 40 -10.560 -0.516 -7.089 1.00 0.00 N ATOM 590 CA GLY A 40 -11.587 -1.029 -7.995 1.00 0.00 C ATOM 591 C GLY A 40 -10.996 -1.562 -9.298 1.00 0.00 C ATOM 592 O GLY A 40 -11.510 -2.533 -9.867 1.00 0.00 O ATOM 0 H GLY A 40 -9.739 -1.117 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.142 -1.825 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.300 -0.235 -8.220 1.00 0.00 H new ATOM 596 N VAL A 41 -9.911 -0.916 -9.771 1.00 0.00 N ATOM 597 CA VAL A 41 -9.230 -1.292 -11.024 1.00 0.00 C ATOM 598 C VAL A 41 -8.447 -2.620 -10.857 1.00 0.00 C ATOM 599 O VAL A 41 -8.098 -2.977 -9.731 1.00 0.00 O ATOM 600 CB VAL A 41 -8.244 -0.157 -11.506 1.00 0.00 C ATOM 601 CG1 VAL A 41 -8.992 1.167 -11.797 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.091 0.055 -10.495 1.00 0.00 C ATOM 0 H VAL A 41 -9.484 -0.121 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.004 -1.428 -11.780 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.802 -0.490 -12.445 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.279 1.923 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.733 1.002 -12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.491 1.509 -10.891 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.430 0.843 -10.857 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.503 0.343 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.526 -0.871 -10.388 1.00 0.00 H new ATOM 612 N PRO A 42 -8.200 -3.387 -11.973 1.00 0.00 N ATOM 613 CA PRO A 42 -7.262 -4.544 -11.971 1.00 0.00 C ATOM 614 C PRO A 42 -5.837 -4.177 -11.479 1.00 0.00 C ATOM 615 O PRO A 42 -5.387 -3.031 -11.628 1.00 0.00 O ATOM 616 CB PRO A 42 -7.235 -4.980 -13.460 1.00 0.00 C ATOM 617 CG PRO A 42 -8.564 -4.546 -13.997 1.00 0.00 C ATOM 618 CD PRO A 42 -8.865 -3.238 -13.297 1.00 0.00 C ATOM 0 HA PRO A 42 -7.588 -5.325 -11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.414 -4.506 -13.998 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.099 -6.057 -13.557 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.528 -4.415 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.334 -5.289 -13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.469 -2.387 -13.851 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.938 -3.078 -13.191 1.00 0.00 H new ATOM 626 N LYS A 43 -5.138 -5.178 -10.915 1.00 0.00 N ATOM 627 CA LYS A 43 -3.770 -5.017 -10.370 1.00 0.00 C ATOM 628 C LYS A 43 -2.730 -4.791 -11.488 1.00 0.00 C ATOM 629 O LYS A 43 -1.664 -4.218 -11.240 1.00 0.00 O ATOM 630 CB LYS A 43 -3.393 -6.255 -9.507 1.00 0.00 C ATOM 631 CG LYS A 43 -3.381 -7.603 -10.268 1.00 0.00 C ATOM 632 CD LYS A 43 -3.017 -8.807 -9.365 1.00 0.00 C ATOM 633 CE LYS A 43 -1.619 -8.686 -8.743 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.310 -9.845 -7.873 1.00 0.00 N ATOM 0 H LYS A 43 -5.503 -6.126 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.761 -4.128 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.406 -6.091 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.097 -6.329 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.363 -7.772 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.667 -7.543 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.757 -8.895 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.070 -9.724 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.873 -8.614 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.557 -7.766 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.467 -9.635 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.117 -10.032 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.129 -10.683 -8.462 1.00 0.00 H new ATOM 648 N GLU A 44 -3.070 -5.232 -12.716 1.00 0.00 N ATOM 649 CA GLU A 44 -2.210 -5.062 -13.908 1.00 0.00 C ATOM 650 C GLU A 44 -2.220 -3.587 -14.378 1.00 0.00 C ATOM 651 O GLU A 44 -1.258 -3.120 -15.002 1.00 0.00 O ATOM 652 CB GLU A 44 -2.692 -6.014 -15.040 1.00 0.00 C ATOM 653 CG GLU A 44 -1.731 -6.135 -16.249 1.00 0.00 C ATOM 654 CD GLU A 44 -2.244 -7.106 -17.330 1.00 0.00 C ATOM 655 OE1 GLU A 44 -2.118 -8.344 -17.152 1.00 0.00 O ATOM 656 OE2 GLU A 44 -2.783 -6.644 -18.360 1.00 0.00 O ATOM 0 H GLU A 44 -3.947 -5.715 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.183 -5.321 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.847 -7.007 -14.618 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.661 -5.666 -15.399 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.587 -5.150 -16.692 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.756 -6.472 -15.899 1.00 0.00 H new ATOM 663 N GLU A 45 -3.312 -2.863 -14.050 1.00 0.00 N ATOM 664 CA GLU A 45 -3.460 -1.423 -14.361 1.00 0.00 C ATOM 665 C GLU A 45 -2.567 -0.555 -13.460 1.00 0.00 C ATOM 666 O GLU A 45 -2.300 0.609 -13.780 1.00 0.00 O ATOM 667 CB GLU A 45 -4.948 -0.987 -14.218 1.00 0.00 C ATOM 668 CG GLU A 45 -5.917 -1.712 -15.168 1.00 0.00 C ATOM 669 CD GLU A 45 -5.512 -1.593 -16.646 1.00 0.00 C ATOM 670 OE1 GLU A 45 -5.688 -0.504 -17.233 1.00 0.00 O ATOM 671 OE2 GLU A 45 -4.999 -2.576 -17.223 1.00 0.00 O ATOM 0 H GLU A 45 -4.116 -3.259 -13.563 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.141 -1.274 -15.393 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.268 -1.161 -13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.018 0.086 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.965 -2.766 -14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.919 -1.303 -15.038 1.00 0.00 H new ATOM 678 N ILE A 46 -2.123 -1.134 -12.335 1.00 0.00 N ATOM 679 CA ILE A 46 -1.300 -0.437 -11.341 1.00 0.00 C ATOM 680 C ILE A 46 0.173 -0.862 -11.496 1.00 0.00 C ATOM 681 O ILE A 46 0.491 -2.058 -11.467 1.00 0.00 O ATOM 682 CB ILE A 46 -1.808 -0.748 -9.885 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.361 -0.547 -9.796 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.064 0.124 -8.834 1.00 0.00 C ATOM 685 CD1 ILE A 46 -3.971 -0.894 -8.455 1.00 0.00 C ATOM 0 H ILE A 46 -2.327 -2.103 -12.090 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.381 0.637 -11.508 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.586 -1.791 -9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.592 0.493 -10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.837 -1.157 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.435 -0.112 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.005 -0.082 -8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.240 1.179 -9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.047 -0.723 -8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.777 -1.942 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.529 -0.267 -7.681 1.00 0.00 H new ATOM 697 N SER A 47 1.046 0.126 -11.686 1.00 0.00 N ATOM 698 CA SER A 47 2.503 -0.060 -11.771 1.00 0.00 C ATOM 699 C SER A 47 3.191 1.000 -10.882 1.00 0.00 C ATOM 700 O SER A 47 2.514 1.838 -10.276 1.00 0.00 O ATOM 701 CB SER A 47 2.957 0.047 -13.254 1.00 0.00 C ATOM 702 OG SER A 47 4.349 -0.198 -13.410 1.00 0.00 O ATOM 0 H SER A 47 0.760 1.100 -11.788 1.00 0.00 H new ATOM 0 HA SER A 47 2.787 -1.049 -11.411 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.395 -0.667 -13.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.720 1.041 -13.634 1.00 0.00 H new ATOM 0 HG SER A 47 4.590 -0.122 -14.357 1.00 0.00 H new ATOM 708 N ARG A 48 4.536 0.975 -10.845 1.00 0.00 N ATOM 709 CA ARG A 48 5.354 1.801 -9.930 1.00 0.00 C ATOM 710 C ARG A 48 5.088 3.317 -10.137 1.00 0.00 C ATOM 711 O ARG A 48 4.706 4.033 -9.202 1.00 0.00 O ATOM 712 CB ARG A 48 6.878 1.480 -10.109 1.00 0.00 C ATOM 713 CG ARG A 48 7.351 0.092 -9.594 1.00 0.00 C ATOM 714 CD ARG A 48 6.858 -1.092 -10.451 1.00 0.00 C ATOM 715 NE ARG A 48 7.063 -2.396 -9.790 1.00 0.00 N ATOM 716 CZ ARG A 48 6.854 -3.593 -10.368 1.00 0.00 C ATOM 717 NH1 ARG A 48 6.603 -3.696 -11.667 1.00 0.00 N ATOM 718 NH2 ARG A 48 6.947 -4.696 -9.640 1.00 0.00 N ATOM 0 H ARG A 48 5.093 0.376 -11.454 1.00 0.00 H new ATOM 0 HA ARG A 48 5.062 1.550 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.122 1.554 -11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.453 2.250 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.441 0.078 -9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.003 -0.043 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.798 -0.962 -10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.382 -1.087 -11.407 1.00 0.00 H new ATOM 0 HE ARG A 48 7.387 -2.389 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.566 -2.858 -12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.447 -4.613 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.176 -4.634 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.790 -5.607 -10.072 1.00 0.00 H new ATOM 732 N ASP A 49 5.250 3.780 -11.379 1.00 0.00 N ATOM 733 CA ASP A 49 5.109 5.212 -11.741 1.00 0.00 C ATOM 734 C ASP A 49 3.662 5.575 -12.153 1.00 0.00 C ATOM 735 O ASP A 49 3.398 6.728 -12.517 1.00 0.00 O ATOM 736 CB ASP A 49 6.107 5.569 -12.872 1.00 0.00 C ATOM 737 CG ASP A 49 5.923 4.704 -14.129 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.433 3.564 -14.153 1.00 0.00 O ATOM 739 OD2 ASP A 49 5.271 5.146 -15.093 1.00 0.00 O ATOM 0 H ASP A 49 5.483 3.180 -12.170 1.00 0.00 H new ATOM 0 HA ASP A 49 5.340 5.802 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.985 6.619 -13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.125 5.450 -12.502 1.00 0.00 H new ATOM 744 N SER A 50 2.723 4.601 -12.055 1.00 0.00 N ATOM 745 CA SER A 50 1.294 4.815 -12.415 1.00 0.00 C ATOM 746 C SER A 50 0.534 5.650 -11.360 1.00 0.00 C ATOM 747 O SER A 50 -0.669 5.909 -11.524 1.00 0.00 O ATOM 748 CB SER A 50 0.576 3.463 -12.613 1.00 0.00 C ATOM 749 OG SER A 50 1.199 2.697 -13.618 1.00 0.00 O ATOM 0 H SER A 50 2.928 3.657 -11.729 1.00 0.00 H new ATOM 0 HA SER A 50 1.291 5.377 -13.349 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.577 2.907 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.467 3.638 -12.879 1.00 0.00 H new ATOM 0 HG SER A 50 0.725 1.845 -13.721 1.00 0.00 H new ATOM 755 N ARG A 51 1.239 6.048 -10.279 1.00 0.00 N ATOM 756 CA ARG A 51 0.689 6.850 -9.172 1.00 0.00 C ATOM 757 C ARG A 51 -0.368 6.079 -8.363 1.00 0.00 C ATOM 758 O ARG A 51 -0.774 4.974 -8.718 1.00 0.00 O ATOM 759 CB ARG A 51 0.111 8.227 -9.651 1.00 0.00 C ATOM 760 CG ARG A 51 1.168 9.232 -10.150 1.00 0.00 C ATOM 761 CD ARG A 51 0.578 10.614 -10.458 1.00 0.00 C ATOM 762 NE ARG A 51 1.636 11.583 -10.770 1.00 0.00 N ATOM 763 CZ ARG A 51 1.780 12.793 -10.202 1.00 0.00 C ATOM 764 NH1 ARG A 51 0.902 13.236 -9.307 1.00 0.00 N ATOM 765 NH2 ARG A 51 2.807 13.559 -10.532 1.00 0.00 N ATOM 0 H ARG A 51 2.224 5.815 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 51 1.534 7.057 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.605 8.046 -10.453 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.441 8.680 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.948 9.335 -9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.643 8.837 -11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.111 10.539 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.000 10.965 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 51 2.320 11.315 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.106 12.655 -9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.025 14.156 -8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.488 13.231 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.917 14.477 -10.102 1.00 0.00 H new ATOM 779 N MET A 52 -0.762 6.675 -7.237 1.00 0.00 N ATOM 780 CA MET A 52 -1.922 6.253 -6.441 1.00 0.00 C ATOM 781 C MET A 52 -2.960 7.380 -6.437 1.00 0.00 C ATOM 782 O MET A 52 -3.759 7.483 -5.505 1.00 0.00 O ATOM 783 CB MET A 52 -1.486 5.895 -4.998 1.00 0.00 C ATOM 784 CG MET A 52 -0.701 4.589 -4.872 1.00 0.00 C ATOM 785 SD MET A 52 -0.273 4.208 -3.168 1.00 0.00 S ATOM 786 CE MET A 52 0.820 5.559 -2.760 1.00 0.00 C ATOM 0 H MET A 52 -0.276 7.481 -6.843 1.00 0.00 H new ATOM 0 HA MET A 52 -2.366 5.361 -6.883 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.876 6.709 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.375 5.831 -4.370 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.291 3.772 -5.287 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.210 4.657 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.380 5.314 -1.857 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.514 5.727 -3.583 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.234 6.462 -2.590 1.00 0.00 H new ATOM 796 N GLU A 53 -2.969 8.163 -7.531 1.00 0.00 N ATOM 797 CA GLU A 53 -3.765 9.393 -7.652 1.00 0.00 C ATOM 798 C GLU A 53 -5.268 9.093 -7.471 1.00 0.00 C ATOM 799 O GLU A 53 -5.924 9.644 -6.580 1.00 0.00 O ATOM 800 CB GLU A 53 -3.488 10.054 -9.038 1.00 0.00 C ATOM 801 CG GLU A 53 -3.845 11.551 -9.121 1.00 0.00 C ATOM 802 CD GLU A 53 -2.989 12.411 -8.170 1.00 0.00 C ATOM 803 OE1 GLU A 53 -1.759 12.492 -8.375 1.00 0.00 O ATOM 804 OE2 GLU A 53 -3.531 12.991 -7.198 1.00 0.00 O ATOM 0 H GLU A 53 -2.417 7.955 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.473 10.088 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.432 9.933 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.052 9.517 -9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.707 11.899 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.899 11.685 -8.878 1.00 0.00 H new ATOM 811 N ASP A 54 -5.779 8.168 -8.298 1.00 0.00 N ATOM 812 CA ASP A 54 -7.188 7.704 -8.254 1.00 0.00 C ATOM 813 C ASP A 54 -7.286 6.338 -7.550 1.00 0.00 C ATOM 814 O ASP A 54 -8.309 5.654 -7.649 1.00 0.00 O ATOM 815 CB ASP A 54 -7.756 7.603 -9.699 1.00 0.00 C ATOM 816 CG ASP A 54 -7.755 8.949 -10.441 1.00 0.00 C ATOM 817 OD1 ASP A 54 -6.692 9.359 -10.935 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.812 9.622 -10.509 1.00 0.00 O ATOM 0 H ASP A 54 -5.227 7.713 -9.025 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.776 8.426 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.167 6.882 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.775 7.219 -9.657 1.00 0.00 H new ATOM 823 N LEU A 55 -6.222 5.951 -6.813 1.00 0.00 N ATOM 824 CA LEU A 55 -6.095 4.593 -6.238 1.00 0.00 C ATOM 825 C LEU A 55 -6.130 4.623 -4.707 1.00 0.00 C ATOM 826 O LEU A 55 -7.091 4.135 -4.100 1.00 0.00 O ATOM 827 CB LEU A 55 -4.799 3.897 -6.751 1.00 0.00 C ATOM 828 CG LEU A 55 -4.644 3.800 -8.301 1.00 0.00 C ATOM 829 CD1 LEU A 55 -3.312 3.131 -8.694 1.00 0.00 C ATOM 830 CD2 LEU A 55 -5.840 3.064 -8.942 1.00 0.00 C ATOM 0 H LEU A 55 -5.434 6.564 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.954 4.011 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.939 4.435 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.764 2.889 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.632 4.819 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.237 3.080 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.481 3.716 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.275 2.123 -8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.700 3.014 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.905 2.054 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.761 3.604 -8.720 1.00 0.00 H new ATOM 842 N ALA A 56 -5.081 5.193 -4.082 1.00 0.00 N ATOM 843 CA ALA A 56 -4.915 5.168 -2.612 1.00 0.00 C ATOM 844 C ALA A 56 -5.058 6.556 -1.975 1.00 0.00 C ATOM 845 O ALA A 56 -5.357 6.649 -0.780 1.00 0.00 O ATOM 846 CB ALA A 56 -3.567 4.529 -2.233 1.00 0.00 C ATOM 0 H ALA A 56 -4.331 5.679 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.724 4.557 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.461 4.519 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.530 3.507 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.754 5.108 -2.671 1.00 0.00 H new ATOM 852 N PHE A 57 -4.864 7.625 -2.779 1.00 0.00 N ATOM 853 CA PHE A 57 -4.886 9.015 -2.291 1.00 0.00 C ATOM 854 C PHE A 57 -6.331 9.428 -1.906 1.00 0.00 C ATOM 855 O PHE A 57 -7.108 9.905 -2.750 1.00 0.00 O ATOM 856 CB PHE A 57 -4.271 9.984 -3.344 1.00 0.00 C ATOM 857 CG PHE A 57 -4.115 11.426 -2.847 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.176 11.741 -1.863 1.00 0.00 C ATOM 859 CD2 PHE A 57 -4.909 12.459 -3.352 1.00 0.00 C ATOM 860 CE1 PHE A 57 -3.037 13.038 -1.402 1.00 0.00 C ATOM 861 CE2 PHE A 57 -4.766 13.755 -2.891 1.00 0.00 C ATOM 862 CZ PHE A 57 -3.830 14.044 -1.916 1.00 0.00 C ATOM 0 H PHE A 57 -4.689 7.545 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.270 9.080 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.294 9.606 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.900 9.983 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.549 10.961 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.644 12.242 -4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.307 13.264 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.386 14.542 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.719 15.056 -1.557 1.00 0.00 H new ATOM 872 N ASP A 58 -6.659 9.171 -0.629 1.00 0.00 N ATOM 873 CA ASP A 58 -7.986 9.387 -0.023 1.00 0.00 C ATOM 874 C ASP A 58 -7.900 9.018 1.464 1.00 0.00 C ATOM 875 O ASP A 58 -7.166 8.102 1.810 1.00 0.00 O ATOM 876 CB ASP A 58 -9.063 8.512 -0.725 1.00 0.00 C ATOM 877 CG ASP A 58 -10.440 8.549 -0.035 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.182 9.534 -0.212 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.776 7.600 0.700 1.00 0.00 O ATOM 0 H ASP A 58 -5.983 8.793 0.035 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.276 10.431 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.175 8.847 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.713 7.480 -0.761 1.00 0.00 H new ATOM 884 N SER A 59 -8.666 9.713 2.329 1.00 0.00 N ATOM 885 CA SER A 59 -8.642 9.497 3.795 1.00 0.00 C ATOM 886 C SER A 59 -8.949 8.031 4.170 1.00 0.00 C ATOM 887 O SER A 59 -8.223 7.413 4.957 1.00 0.00 O ATOM 888 CB SER A 59 -9.651 10.455 4.474 1.00 0.00 C ATOM 889 OG SER A 59 -9.411 11.800 4.095 1.00 0.00 O ATOM 0 H SER A 59 -9.319 10.439 2.034 1.00 0.00 H new ATOM 0 HA SER A 59 -7.635 9.712 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.667 10.172 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.575 10.360 5.557 1.00 0.00 H new ATOM 0 HG SER A 59 -10.062 12.385 4.535 1.00 0.00 H new ATOM 895 N LEU A 60 -10.002 7.475 3.551 1.00 0.00 N ATOM 896 CA LEU A 60 -10.496 6.124 3.865 1.00 0.00 C ATOM 897 C LEU A 60 -9.557 5.043 3.288 1.00 0.00 C ATOM 898 O LEU A 60 -9.339 4.012 3.932 1.00 0.00 O ATOM 899 CB LEU A 60 -11.950 5.914 3.334 1.00 0.00 C ATOM 900 CG LEU A 60 -13.092 6.760 4.013 1.00 0.00 C ATOM 901 CD1 LEU A 60 -12.971 8.276 3.736 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.490 6.242 3.591 1.00 0.00 C ATOM 0 H LEU A 60 -10.534 7.947 2.820 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.511 6.027 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.955 6.134 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.201 4.859 3.443 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.971 6.627 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.787 8.803 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.018 8.641 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.023 8.455 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.261 6.843 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.595 6.318 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.599 5.201 3.894 1.00 0.00 H new ATOM 914 N VAL A 61 -9.008 5.290 2.074 1.00 0.00 N ATOM 915 CA VAL A 61 -8.164 4.290 1.368 1.00 0.00 C ATOM 916 C VAL A 61 -6.724 4.260 1.927 1.00 0.00 C ATOM 917 O VAL A 61 -6.097 3.209 1.923 1.00 0.00 O ATOM 918 CB VAL A 61 -8.130 4.492 -0.195 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.444 3.286 -0.896 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.547 4.703 -0.764 1.00 0.00 C ATOM 0 H VAL A 61 -9.132 6.165 1.565 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.639 3.328 1.559 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.545 5.390 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.433 3.450 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.421 3.188 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.996 2.373 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.489 4.839 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.162 3.831 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.993 5.588 -0.310 1.00 0.00 H new ATOM 930 N VAL A 62 -6.203 5.417 2.383 1.00 0.00 N ATOM 931 CA VAL A 62 -4.900 5.486 3.105 1.00 0.00 C ATOM 932 C VAL A 62 -5.022 4.762 4.467 1.00 0.00 C ATOM 933 O VAL A 62 -4.093 4.075 4.887 1.00 0.00 O ATOM 934 CB VAL A 62 -4.399 6.985 3.306 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.174 7.084 4.246 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.073 7.657 1.946 1.00 0.00 C ATOM 0 H VAL A 62 -6.660 6.322 2.268 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.151 4.985 2.492 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.224 7.517 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.876 8.128 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.434 6.685 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.347 6.509 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.734 8.679 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.288 7.094 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.968 7.671 1.323 1.00 0.00 H new ATOM 946 N SER A 63 -6.198 4.900 5.127 1.00 0.00 N ATOM 947 CA SER A 63 -6.516 4.163 6.374 1.00 0.00 C ATOM 948 C SER A 63 -6.656 2.653 6.110 1.00 0.00 C ATOM 949 O SER A 63 -6.261 1.834 6.936 1.00 0.00 O ATOM 950 CB SER A 63 -7.818 4.700 7.001 1.00 0.00 C ATOM 951 OG SER A 63 -7.689 6.058 7.371 1.00 0.00 O ATOM 0 H SER A 63 -6.946 5.519 4.814 1.00 0.00 H new ATOM 0 HA SER A 63 -5.690 4.318 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.638 4.591 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.074 4.105 7.878 1.00 0.00 H new ATOM 0 HG SER A 63 -7.872 6.627 6.595 1.00 0.00 H new ATOM 957 N GLU A 64 -7.238 2.309 4.946 1.00 0.00 N ATOM 958 CA GLU A 64 -7.480 0.908 4.542 1.00 0.00 C ATOM 959 C GLU A 64 -6.141 0.257 4.144 1.00 0.00 C ATOM 960 O GLU A 64 -5.890 -0.907 4.458 1.00 0.00 O ATOM 961 CB GLU A 64 -8.528 0.867 3.378 1.00 0.00 C ATOM 962 CG GLU A 64 -9.425 -0.396 3.315 1.00 0.00 C ATOM 963 CD GLU A 64 -8.673 -1.707 3.023 1.00 0.00 C ATOM 964 OE1 GLU A 64 -8.290 -1.937 1.856 1.00 0.00 O ATOM 965 OE2 GLU A 64 -8.483 -2.517 3.955 1.00 0.00 O ATOM 0 H GLU A 64 -7.554 2.993 4.258 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.895 0.338 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.172 1.742 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.994 0.957 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.951 -0.499 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.182 -0.249 2.545 1.00 0.00 H new ATOM 972 N LEU A 65 -5.279 1.058 3.494 1.00 0.00 N ATOM 973 CA LEU A 65 -3.942 0.640 3.047 1.00 0.00 C ATOM 974 C LEU A 65 -3.060 0.366 4.270 1.00 0.00 C ATOM 975 O LEU A 65 -2.445 -0.685 4.362 1.00 0.00 O ATOM 976 CB LEU A 65 -3.308 1.738 2.141 1.00 0.00 C ATOM 977 CG LEU A 65 -1.860 1.469 1.593 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.793 0.184 0.738 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.326 2.691 0.799 1.00 0.00 C ATOM 0 H LEU A 65 -5.496 2.027 3.262 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.024 -0.274 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.968 1.895 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.288 2.671 2.704 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.215 1.316 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.774 0.038 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.091 -0.672 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.466 0.278 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.322 2.476 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.986 2.893 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.295 3.563 1.452 1.00 0.00 H new ATOM 991 N SER A 66 -3.063 1.309 5.230 1.00 0.00 N ATOM 992 CA SER A 66 -2.272 1.203 6.467 1.00 0.00 C ATOM 993 C SER A 66 -2.770 0.056 7.363 1.00 0.00 C ATOM 994 O SER A 66 -1.969 -0.567 8.047 1.00 0.00 O ATOM 995 CB SER A 66 -2.291 2.546 7.232 1.00 0.00 C ATOM 996 OG SER A 66 -3.606 3.000 7.465 1.00 0.00 O ATOM 0 H SER A 66 -3.614 2.165 5.169 1.00 0.00 H new ATOM 0 HA SER A 66 -1.244 0.973 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.773 2.429 8.184 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.744 3.296 6.662 1.00 0.00 H new ATOM 0 HG SER A 66 -3.962 3.406 6.647 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.093 -0.205 7.343 1.00 0.00 N ATOM 1003 CA LEU A 67 -4.714 -1.327 8.088 1.00 0.00 C ATOM 1004 C LEU A 67 -4.305 -2.683 7.466 1.00 0.00 C ATOM 1005 O LEU A 67 -4.006 -3.647 8.181 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.264 -1.173 8.101 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.083 -2.321 8.782 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -6.676 -2.527 10.264 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.605 -2.062 8.646 1.00 0.00 C ATOM 0 H LEU A 67 -4.762 0.353 6.812 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.356 -1.303 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.508 -0.237 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.604 -1.079 7.070 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.846 -3.247 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.270 -3.333 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.619 -2.786 10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.853 -1.607 10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.156 -2.871 9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.858 -1.117 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.873 -2.016 7.591 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.271 -2.723 6.127 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.964 -3.944 5.359 1.00 0.00 C ATOM 1023 C LYS A 68 -2.468 -4.296 5.485 1.00 0.00 C ATOM 1024 O LYS A 68 -2.106 -5.464 5.671 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.362 -3.732 3.871 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.470 -5.029 3.036 1.00 0.00 C ATOM 1027 CD LYS A 68 -5.568 -5.995 3.557 1.00 0.00 C ATOM 1028 CE LYS A 68 -6.963 -5.344 3.615 1.00 0.00 C ATOM 1029 NZ LYS A 68 -7.382 -4.789 2.311 1.00 0.00 N ATOM 0 H LYS A 68 -4.456 -1.909 5.541 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.538 -4.779 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.320 -3.214 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.628 -3.076 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.683 -4.770 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.508 -5.542 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.609 -6.872 2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.294 -6.345 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.693 -6.084 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.959 -4.549 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.392 -4.984 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.223 -3.761 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.826 -5.231 1.551 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.621 -3.255 5.404 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.167 -3.372 5.580 1.00 0.00 C ATOM 1045 C LEU A 69 0.158 -3.763 7.028 1.00 0.00 C ATOM 1046 O LEU A 69 1.053 -4.553 7.255 1.00 0.00 O ATOM 1047 CB LEU A 69 0.564 -2.047 5.211 1.00 0.00 C ATOM 1048 CG LEU A 69 0.454 -1.572 3.726 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.199 -0.234 3.506 1.00 0.00 C ATOM 1050 CD2 LEU A 69 0.935 -2.655 2.739 1.00 0.00 C ATOM 0 H LEU A 69 -1.931 -2.302 5.213 1.00 0.00 H new ATOM 0 HA LEU A 69 0.188 -4.150 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.175 -1.255 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.620 -2.163 5.453 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.602 -1.399 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.103 0.069 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.766 0.533 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.253 -0.360 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.842 -2.284 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.978 -2.896 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.326 -3.551 2.857 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.604 -3.193 7.981 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.486 -3.474 9.435 1.00 0.00 C ATOM 1064 C ARG A 70 -0.619 -4.974 9.731 1.00 0.00 C ATOM 1065 O ARG A 70 0.154 -5.536 10.510 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.582 -2.685 10.202 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.664 -2.919 11.725 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.769 -2.071 12.377 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.819 -2.249 13.833 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.632 -1.575 14.664 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -4.440 -0.631 14.206 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.632 -1.849 15.956 1.00 0.00 N ATOM 0 H ARG A 70 -1.332 -2.513 7.764 1.00 0.00 H new ATOM 0 HA ARG A 70 0.503 -3.156 9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.420 -1.621 10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.549 -2.935 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.853 -3.974 11.920 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.704 -2.678 12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.600 -1.019 12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.733 -2.341 11.946 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.189 -2.937 14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.451 -0.407 13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.052 -0.128 14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.015 -2.573 16.324 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.249 -1.337 16.586 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.616 -5.601 9.097 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.892 -7.030 9.268 1.00 0.00 C ATOM 1088 C LYS A 71 -0.834 -7.882 8.539 1.00 0.00 C ATOM 1089 O LYS A 71 -0.017 -8.558 9.178 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.313 -7.366 8.733 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.462 -6.643 9.471 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.844 -7.029 8.911 1.00 0.00 C ATOM 1093 CE LYS A 71 -7.005 -6.387 9.686 1.00 0.00 C ATOM 1094 NZ LYS A 71 -8.320 -6.851 9.166 1.00 0.00 N ATOM 0 H LYS A 71 -2.253 -5.132 8.452 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.847 -7.265 10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.359 -7.109 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.471 -8.442 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.421 -6.887 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.325 -5.565 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.903 -6.729 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.951 -8.113 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.921 -6.635 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.942 -5.302 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.086 -6.402 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.408 -6.592 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.387 -7.884 9.264 1.00 0.00 H new ATOM 1108 N GLU A 72 -0.837 -7.790 7.201 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.128 -8.739 6.328 1.00 0.00 C ATOM 1110 C GLU A 72 1.386 -8.474 6.297 1.00 0.00 C ATOM 1111 O GLU A 72 2.189 -9.371 6.584 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.717 -8.656 4.896 1.00 0.00 C ATOM 1113 CG GLU A 72 -2.249 -8.833 4.833 1.00 0.00 C ATOM 1114 CD GLU A 72 -2.796 -8.830 3.397 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.623 -7.816 2.689 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.395 -9.842 2.964 1.00 0.00 O ATOM 0 H GLU A 72 -1.331 -7.056 6.693 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.270 -9.742 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.456 -7.691 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.248 -9.421 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.521 -9.771 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.725 -8.032 5.399 1.00 0.00 H new ATOM 1123 N PHE A 73 1.758 -7.231 5.968 1.00 0.00 N ATOM 1124 CA PHE A 73 3.172 -6.840 5.775 1.00 0.00 C ATOM 1125 C PHE A 73 3.811 -6.363 7.096 1.00 0.00 C ATOM 1126 O PHE A 73 5.029 -6.190 7.169 1.00 0.00 O ATOM 1127 CB PHE A 73 3.261 -5.732 4.688 1.00 0.00 C ATOM 1128 CG PHE A 73 2.792 -6.179 3.294 1.00 0.00 C ATOM 1129 CD1 PHE A 73 1.443 -6.130 2.931 1.00 0.00 C ATOM 1130 CD2 PHE A 73 3.707 -6.638 2.341 1.00 0.00 C ATOM 1131 CE1 PHE A 73 1.027 -6.523 1.669 1.00 0.00 C ATOM 1132 CE2 PHE A 73 3.288 -7.028 1.078 1.00 0.00 C ATOM 1133 CZ PHE A 73 1.953 -6.969 0.742 1.00 0.00 C ATOM 0 H PHE A 73 1.097 -6.467 5.827 1.00 0.00 H new ATOM 0 HA PHE A 73 3.731 -7.715 5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.661 -4.879 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.293 -5.388 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.713 -5.780 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.756 -6.689 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.020 -6.481 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.010 -7.379 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.630 -7.270 -0.243 1.00 0.00 H new ATOM 1143 N GLY A 74 2.959 -6.141 8.126 1.00 0.00 N ATOM 1144 CA GLY A 74 3.378 -5.635 9.439 1.00 0.00 C ATOM 1145 C GLY A 74 3.608 -4.117 9.490 1.00 0.00 C ATOM 1146 O GLY A 74 3.808 -3.555 10.574 1.00 0.00 O ATOM 0 H GLY A 74 1.956 -6.312 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.620 -5.900 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.298 -6.140 9.733 1.00 0.00 H new ATOM 1150 N VAL A 75 3.558 -3.457 8.314 1.00 0.00 N ATOM 1151 CA VAL A 75 3.923 -2.039 8.153 1.00 0.00 C ATOM 1152 C VAL A 75 2.784 -1.115 8.666 1.00 0.00 C ATOM 1153 O VAL A 75 1.759 -0.943 8.000 1.00 0.00 O ATOM 1154 CB VAL A 75 4.274 -1.729 6.639 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.729 -0.265 6.431 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.340 -2.722 6.110 1.00 0.00 C ATOM 0 H VAL A 75 3.260 -3.899 7.444 1.00 0.00 H new ATOM 0 HA VAL A 75 4.809 -1.838 8.755 1.00 0.00 H new ATOM 0 HB VAL A 75 3.359 -1.861 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.958 -0.101 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.931 0.411 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.619 -0.072 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.567 -2.492 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.248 -2.634 6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.956 -3.740 6.181 1.00 0.00 H new ATOM 1166 N THR A 76 2.978 -0.551 9.870 1.00 0.00 N ATOM 1167 CA THR A 76 1.983 0.314 10.541 1.00 0.00 C ATOM 1168 C THR A 76 2.676 1.534 11.174 1.00 0.00 C ATOM 1169 O THR A 76 3.916 1.587 11.253 1.00 0.00 O ATOM 1170 CB THR A 76 1.180 -0.481 11.628 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.134 0.339 12.192 1.00 0.00 O ATOM 1172 CG2 THR A 76 2.084 -1.005 12.756 1.00 0.00 C ATOM 0 H THR A 76 3.833 -0.681 10.411 1.00 0.00 H new ATOM 0 HA THR A 76 1.276 0.660 9.787 1.00 0.00 H new ATOM 0 HB THR A 76 0.740 -1.341 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.357 -0.175 12.867 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.481 -1.548 13.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.837 -1.673 12.338 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.576 -0.166 13.248 1.00 0.00 H new ATOM 1180 N GLY A 77 1.858 2.507 11.620 1.00 0.00 N ATOM 1181 CA GLY A 77 2.349 3.772 12.173 1.00 0.00 C ATOM 1182 C GLY A 77 2.913 4.702 11.098 1.00 0.00 C ATOM 1183 O GLY A 77 3.576 5.684 11.423 1.00 0.00 O ATOM 0 H GLY A 77 0.841 2.433 11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.536 4.276 12.695 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.123 3.565 12.912 1.00 0.00 H new ATOM 1187 N VAL A 78 2.613 4.393 9.820 1.00 0.00 N ATOM 1188 CA VAL A 78 3.175 5.087 8.635 1.00 0.00 C ATOM 1189 C VAL A 78 2.059 5.732 7.781 1.00 0.00 C ATOM 1190 O VAL A 78 2.302 6.131 6.635 1.00 0.00 O ATOM 1191 CB VAL A 78 4.016 4.077 7.757 1.00 0.00 C ATOM 1192 CG1 VAL A 78 5.228 3.513 8.548 1.00 0.00 C ATOM 1193 CG2 VAL A 78 3.116 2.936 7.202 1.00 0.00 C ATOM 0 H VAL A 78 1.965 3.645 9.575 1.00 0.00 H new ATOM 0 HA VAL A 78 3.830 5.882 8.991 1.00 0.00 H new ATOM 0 HB VAL A 78 4.414 4.628 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.785 2.822 7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.879 4.333 8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.872 2.987 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.720 2.256 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.669 2.389 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.327 3.363 6.583 1.00 0.00 H new ATOM 1203 N ASP A 79 0.859 5.868 8.381 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.368 6.330 7.688 1.00 0.00 C ATOM 1205 C ASP A 79 -0.166 7.691 6.989 1.00 0.00 C ATOM 1206 O ASP A 79 -0.566 7.874 5.835 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.529 6.430 8.709 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.856 6.884 8.077 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -3.552 6.037 7.479 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.204 8.082 8.170 1.00 0.00 O ATOM 0 H ASP A 79 0.710 5.659 9.368 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.608 5.601 6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.673 5.458 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.251 7.130 9.497 1.00 0.00 H new ATOM 1215 N ASP A 80 0.473 8.630 7.702 1.00 0.00 N ATOM 1216 CA ASP A 80 0.710 9.996 7.192 1.00 0.00 C ATOM 1217 C ASP A 80 1.687 9.992 6.012 1.00 0.00 C ATOM 1218 O ASP A 80 1.534 10.788 5.085 1.00 0.00 O ATOM 1219 CB ASP A 80 1.207 10.935 8.318 1.00 0.00 C ATOM 1220 CG ASP A 80 0.151 11.117 9.417 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -0.898 11.728 9.134 1.00 0.00 O ATOM 1222 OD2 ASP A 80 0.350 10.641 10.555 1.00 0.00 O ATOM 0 H ASP A 80 0.839 8.470 8.641 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.244 10.379 6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.119 10.528 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.462 11.907 7.895 1.00 0.00 H new ATOM 1227 N GLU A 81 2.666 9.066 6.048 1.00 0.00 N ATOM 1228 CA GLU A 81 3.626 8.880 4.942 1.00 0.00 C ATOM 1229 C GLU A 81 2.909 8.332 3.697 1.00 0.00 C ATOM 1230 O GLU A 81 3.206 8.755 2.589 1.00 0.00 O ATOM 1231 CB GLU A 81 4.809 7.941 5.326 1.00 0.00 C ATOM 1232 CG GLU A 81 5.737 8.456 6.458 1.00 0.00 C ATOM 1233 CD GLU A 81 5.297 8.041 7.868 1.00 0.00 C ATOM 1234 OE1 GLU A 81 4.298 8.583 8.374 1.00 0.00 O ATOM 1235 OE2 GLU A 81 5.962 7.174 8.482 1.00 0.00 O ATOM 0 H GLU A 81 2.813 8.433 6.834 1.00 0.00 H new ATOM 0 HA GLU A 81 4.047 9.861 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.400 6.977 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.414 7.767 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.747 8.087 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.782 9.544 6.409 1.00 0.00 H new ATOM 1242 N LEU A 82 1.941 7.417 3.909 1.00 0.00 N ATOM 1243 CA LEU A 82 1.142 6.812 2.821 1.00 0.00 C ATOM 1244 C LEU A 82 0.289 7.874 2.099 1.00 0.00 C ATOM 1245 O LEU A 82 0.025 7.760 0.898 1.00 0.00 O ATOM 1246 CB LEU A 82 0.239 5.691 3.386 1.00 0.00 C ATOM 1247 CG LEU A 82 0.972 4.477 4.033 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.032 3.479 4.631 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.899 3.788 3.020 1.00 0.00 C ATOM 0 H LEU A 82 1.691 7.076 4.837 1.00 0.00 H new ATOM 0 HA LEU A 82 1.830 6.382 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.424 6.129 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.392 5.320 2.578 1.00 0.00 H new ATOM 0 HG LEU A 82 1.590 4.856 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.507 2.642 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.626 3.976 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.690 3.110 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.398 2.945 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.312 3.430 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.646 4.499 2.668 1.00 0.00 H new ATOM 1261 N ASP A 83 -0.131 8.901 2.858 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.865 10.060 2.309 1.00 0.00 C ATOM 1263 C ASP A 83 0.098 10.998 1.542 1.00 0.00 C ATOM 1264 O ASP A 83 -0.285 11.598 0.534 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.589 10.825 3.447 1.00 0.00 C ATOM 1266 CG ASP A 83 -2.517 11.947 2.931 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -3.581 11.629 2.356 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -2.196 13.145 3.103 1.00 0.00 O ATOM 0 H ASP A 83 0.027 8.954 3.864 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.616 9.697 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.175 10.119 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.845 11.257 4.117 1.00 0.00 H new ATOM 1273 N LEU A 84 1.350 11.107 2.044 1.00 0.00 N ATOM 1274 CA LEU A 84 2.438 11.871 1.382 1.00 0.00 C ATOM 1275 C LEU A 84 2.909 11.173 0.087 1.00 0.00 C ATOM 1276 O LEU A 84 3.475 11.820 -0.802 1.00 0.00 O ATOM 1277 CB LEU A 84 3.647 12.059 2.354 1.00 0.00 C ATOM 1278 CG LEU A 84 3.389 12.953 3.608 1.00 0.00 C ATOM 1279 CD1 LEU A 84 4.582 12.922 4.592 1.00 0.00 C ATOM 1280 CD2 LEU A 84 3.041 14.402 3.199 1.00 0.00 C ATOM 0 H LEU A 84 1.636 10.668 2.919 1.00 0.00 H new ATOM 0 HA LEU A 84 2.038 12.850 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.969 11.075 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.476 12.489 1.791 1.00 0.00 H new ATOM 0 HG LEU A 84 2.528 12.535 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.362 13.557 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.748 11.899 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.477 13.288 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.867 15.001 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.868 14.829 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.142 14.400 2.583 1.00 0.00 H new ATOM 1292 N LEU A 85 2.681 9.847 -0.001 1.00 0.00 N ATOM 1293 CA LEU A 85 3.037 9.051 -1.186 1.00 0.00 C ATOM 1294 C LEU A 85 2.029 9.293 -2.318 1.00 0.00 C ATOM 1295 O LEU A 85 0.835 8.995 -2.185 1.00 0.00 O ATOM 1296 CB LEU A 85 3.101 7.538 -0.856 1.00 0.00 C ATOM 1297 CG LEU A 85 4.207 7.089 0.139 1.00 0.00 C ATOM 1298 CD1 LEU A 85 4.102 5.582 0.418 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.618 7.482 -0.359 1.00 0.00 C ATOM 0 H LEU A 85 2.247 9.303 0.745 1.00 0.00 H new ATOM 0 HA LEU A 85 4.027 9.371 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.135 7.237 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.240 6.991 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 85 4.048 7.617 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.884 5.286 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.126 5.359 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.221 5.030 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.364 7.151 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.809 7.007 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.676 8.565 -0.470 1.00 0.00 H new ATOM 1311 N GLU A 86 2.537 9.824 -3.430 1.00 0.00 N ATOM 1312 CA GLU A 86 1.739 10.097 -4.644 1.00 0.00 C ATOM 1313 C GLU A 86 1.922 8.974 -5.678 1.00 0.00 C ATOM 1314 O GLU A 86 1.158 8.881 -6.637 1.00 0.00 O ATOM 1315 CB GLU A 86 2.160 11.457 -5.263 1.00 0.00 C ATOM 1316 CG GLU A 86 3.658 11.535 -5.656 1.00 0.00 C ATOM 1317 CD GLU A 86 4.029 12.832 -6.387 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.353 13.839 -5.722 1.00 0.00 O ATOM 1319 OE2 GLU A 86 3.977 12.859 -7.636 1.00 0.00 O ATOM 0 H GLU A 86 3.520 10.082 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 86 0.687 10.141 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.553 11.645 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.940 12.252 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.267 11.447 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.904 10.685 -6.292 1.00 0.00 H new ATOM 1326 N THR A 87 2.946 8.125 -5.460 1.00 0.00 N ATOM 1327 CA THR A 87 3.426 7.138 -6.446 1.00 0.00 C ATOM 1328 C THR A 87 3.730 5.775 -5.781 1.00 0.00 C ATOM 1329 O THR A 87 4.246 5.703 -4.646 1.00 0.00 O ATOM 1330 CB THR A 87 4.693 7.699 -7.190 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.436 8.541 -6.288 1.00 0.00 O ATOM 1332 CG2 THR A 87 4.351 8.510 -8.458 1.00 0.00 C ATOM 0 H THR A 87 3.468 8.106 -4.584 1.00 0.00 H new ATOM 0 HA THR A 87 2.635 6.969 -7.177 1.00 0.00 H new ATOM 0 HB THR A 87 5.279 6.836 -7.508 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.313 8.139 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.271 8.867 -8.921 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.813 7.875 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.727 9.362 -8.188 1.00 0.00 H new ATOM 1340 N VAL A 88 3.436 4.695 -6.535 1.00 0.00 N ATOM 1341 CA VAL A 88 3.490 3.315 -6.024 1.00 0.00 C ATOM 1342 C VAL A 88 4.944 2.831 -5.892 1.00 0.00 C ATOM 1343 O VAL A 88 5.211 1.941 -5.109 1.00 0.00 O ATOM 1344 CB VAL A 88 2.682 2.314 -6.941 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.443 0.960 -6.230 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.351 2.925 -7.429 1.00 0.00 C ATOM 0 H VAL A 88 3.155 4.758 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 88 3.025 3.328 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 88 3.297 2.126 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.884 0.296 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.402 0.504 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.874 1.125 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.828 2.203 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.730 3.177 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.555 3.827 -8.006 1.00 0.00 H new ATOM 1356 N ASP A 89 5.869 3.436 -6.659 1.00 0.00 N ATOM 1357 CA ASP A 89 7.306 3.090 -6.622 1.00 0.00 C ATOM 1358 C ASP A 89 7.869 3.311 -5.212 1.00 0.00 C ATOM 1359 O ASP A 89 8.486 2.423 -4.619 1.00 0.00 O ATOM 1360 CB ASP A 89 8.076 3.953 -7.652 1.00 0.00 C ATOM 1361 CG ASP A 89 9.580 3.626 -7.721 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.939 2.589 -8.316 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.401 4.393 -7.175 1.00 0.00 O ATOM 0 H ASP A 89 5.644 4.178 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 89 7.427 2.038 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.635 3.809 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.952 5.006 -7.398 1.00 0.00 H new ATOM 1368 N GLU A 90 7.585 4.504 -4.688 1.00 0.00 N ATOM 1369 CA GLU A 90 7.974 4.924 -3.343 1.00 0.00 C ATOM 1370 C GLU A 90 7.205 4.114 -2.279 1.00 0.00 C ATOM 1371 O GLU A 90 7.727 3.882 -1.193 1.00 0.00 O ATOM 1372 CB GLU A 90 7.719 6.448 -3.170 1.00 0.00 C ATOM 1373 CG GLU A 90 8.714 7.395 -3.900 1.00 0.00 C ATOM 1374 CD GLU A 90 8.779 7.271 -5.439 1.00 0.00 C ATOM 1375 OE1 GLU A 90 7.749 7.001 -6.076 1.00 0.00 O ATOM 1376 OE2 GLU A 90 9.865 7.483 -6.018 1.00 0.00 O ATOM 0 H GLU A 90 7.067 5.220 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 90 9.038 4.732 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.712 6.670 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.742 6.681 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.452 8.423 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.712 7.215 -3.501 1.00 0.00 H new ATOM 1383 N LEU A 91 5.952 3.708 -2.608 1.00 0.00 N ATOM 1384 CA LEU A 91 5.138 2.830 -1.735 1.00 0.00 C ATOM 1385 C LEU A 91 5.781 1.435 -1.574 1.00 0.00 C ATOM 1386 O LEU A 91 5.899 0.944 -0.453 1.00 0.00 O ATOM 1387 CB LEU A 91 3.682 2.710 -2.264 1.00 0.00 C ATOM 1388 CG LEU A 91 2.744 1.708 -1.507 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.603 2.065 -0.010 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.367 1.622 -2.184 1.00 0.00 C ATOM 0 H LEU A 91 5.485 3.977 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 91 5.104 3.293 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.224 3.698 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.723 2.414 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 91 3.213 0.726 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.944 1.345 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.584 2.037 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.181 3.065 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.737 0.920 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.899 2.606 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.488 1.279 -3.211 1.00 0.00 H new ATOM 1402 N PHE A 92 6.206 0.821 -2.700 1.00 0.00 N ATOM 1403 CA PHE A 92 6.892 -0.497 -2.709 1.00 0.00 C ATOM 1404 C PHE A 92 8.141 -0.440 -1.825 1.00 0.00 C ATOM 1405 O PHE A 92 8.382 -1.331 -1.006 1.00 0.00 O ATOM 1406 CB PHE A 92 7.324 -0.910 -4.152 1.00 0.00 C ATOM 1407 CG PHE A 92 6.206 -1.368 -5.088 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.395 -2.444 -4.744 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.994 -0.762 -6.323 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.409 -2.888 -5.603 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.014 -1.217 -7.179 1.00 0.00 C ATOM 1412 CZ PHE A 92 4.223 -2.277 -6.818 1.00 0.00 C ATOM 0 H PHE A 92 6.085 1.222 -3.630 1.00 0.00 H new ATOM 0 HA PHE A 92 6.186 -1.235 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.831 -0.062 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.055 -1.714 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.538 -2.938 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.607 0.078 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.782 -3.719 -5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.869 -0.738 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.454 -2.631 -7.489 1.00 0.00 H new ATOM 1422 N GLN A 93 8.910 0.645 -2.009 1.00 0.00 N ATOM 1423 CA GLN A 93 10.153 0.875 -1.280 1.00 0.00 C ATOM 1424 C GLN A 93 9.899 1.160 0.209 1.00 0.00 C ATOM 1425 O GLN A 93 10.714 0.783 1.029 1.00 0.00 O ATOM 1426 CB GLN A 93 10.948 2.039 -1.916 1.00 0.00 C ATOM 1427 CG GLN A 93 11.446 1.779 -3.350 1.00 0.00 C ATOM 1428 CD GLN A 93 12.410 2.861 -3.841 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.997 3.865 -4.414 1.00 0.00 O ATOM 1430 NE2 GLN A 93 13.699 2.671 -3.590 1.00 0.00 N ATOM 0 H GLN A 93 8.680 1.386 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 93 10.742 -0.039 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.318 2.929 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.808 2.261 -1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.943 0.810 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.591 1.726 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.006 1.824 -3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.383 3.372 -3.875 1.00 0.00 H new ATOM 1439 N LEU A 94 8.778 1.837 0.543 1.00 0.00 N ATOM 1440 CA LEU A 94 8.439 2.184 1.943 1.00 0.00 C ATOM 1441 C LEU A 94 8.056 0.914 2.717 1.00 0.00 C ATOM 1442 O LEU A 94 8.540 0.685 3.831 1.00 0.00 O ATOM 1443 CB LEU A 94 7.303 3.263 2.005 1.00 0.00 C ATOM 1444 CG LEU A 94 6.989 3.898 3.423 1.00 0.00 C ATOM 1445 CD1 LEU A 94 6.482 5.350 3.292 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.976 3.056 4.242 1.00 0.00 C ATOM 0 H LEU A 94 8.090 2.155 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 94 9.317 2.624 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.566 4.071 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.386 2.812 1.626 1.00 0.00 H new ATOM 0 HG LEU A 94 7.933 3.901 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.276 5.754 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.243 5.958 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.568 5.364 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.797 3.536 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.037 2.982 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.381 2.057 4.405 1.00 0.00 H new ATOM 1458 N VAL A 95 7.191 0.092 2.102 1.00 0.00 N ATOM 1459 CA VAL A 95 6.752 -1.192 2.668 1.00 0.00 C ATOM 1460 C VAL A 95 7.968 -2.104 2.914 1.00 0.00 C ATOM 1461 O VAL A 95 8.131 -2.627 4.016 1.00 0.00 O ATOM 1462 CB VAL A 95 5.700 -1.908 1.726 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.331 -3.325 2.236 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.428 -1.039 1.567 1.00 0.00 C ATOM 0 H VAL A 95 6.775 0.301 1.194 1.00 0.00 H new ATOM 0 HA VAL A 95 6.260 -0.993 3.620 1.00 0.00 H new ATOM 0 HB VAL A 95 6.170 -2.026 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.607 -3.778 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.228 -3.943 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.898 -3.251 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.718 -1.549 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.973 -0.878 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.696 -0.078 1.129 1.00 0.00 H new ATOM 1474 N GLU A 96 8.833 -2.225 1.891 1.00 0.00 N ATOM 1475 CA GLU A 96 10.046 -3.064 1.942 1.00 0.00 C ATOM 1476 C GLU A 96 11.095 -2.506 2.939 1.00 0.00 C ATOM 1477 O GLU A 96 11.769 -3.276 3.622 1.00 0.00 O ATOM 1478 CB GLU A 96 10.656 -3.190 0.517 1.00 0.00 C ATOM 1479 CG GLU A 96 11.890 -4.113 0.426 1.00 0.00 C ATOM 1480 CD GLU A 96 12.504 -4.223 -0.978 1.00 0.00 C ATOM 1481 OE1 GLU A 96 13.111 -3.241 -1.451 1.00 0.00 O ATOM 1482 OE2 GLU A 96 12.395 -5.295 -1.610 1.00 0.00 O ATOM 0 H GLU A 96 8.710 -1.742 1.001 1.00 0.00 H new ATOM 0 HA GLU A 96 9.758 -4.052 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.888 -3.563 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.935 -2.196 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.652 -3.747 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.607 -5.110 0.764 1.00 0.00 H new ATOM 1489 N LYS A 97 11.200 -1.169 3.020 1.00 0.00 N ATOM 1490 CA LYS A 97 12.164 -0.479 3.916 1.00 0.00 C ATOM 1491 C LYS A 97 11.831 -0.767 5.389 1.00 0.00 C ATOM 1492 O LYS A 97 12.697 -1.138 6.170 1.00 0.00 O ATOM 1493 CB LYS A 97 12.122 1.054 3.664 1.00 0.00 C ATOM 1494 CG LYS A 97 13.127 1.908 4.475 1.00 0.00 C ATOM 1495 CD LYS A 97 12.881 3.427 4.287 1.00 0.00 C ATOM 1496 CE LYS A 97 13.872 4.295 5.071 1.00 0.00 C ATOM 1497 NZ LYS A 97 15.263 4.156 4.565 1.00 0.00 N ATOM 0 H LYS A 97 10.624 -0.531 2.471 1.00 0.00 H new ATOM 0 HA LYS A 97 13.164 -0.854 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.299 1.232 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.115 1.410 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.047 1.656 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.143 1.664 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.951 3.672 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.866 3.667 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.567 5.339 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.841 4.017 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.883 4.822 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.596 3.184 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.284 4.364 3.546 1.00 0.00 H new ATOM 1511 N HIS A 98 10.548 -0.598 5.733 1.00 0.00 N ATOM 1512 CA HIS A 98 10.037 -0.778 7.109 1.00 0.00 C ATOM 1513 C HIS A 98 9.880 -2.275 7.464 1.00 0.00 C ATOM 1514 O HIS A 98 9.792 -2.637 8.644 1.00 0.00 O ATOM 1515 CB HIS A 98 8.699 -0.009 7.295 1.00 0.00 C ATOM 1516 CG HIS A 98 8.848 1.498 7.251 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.546 2.317 8.316 1.00 0.00 N ATOM 1518 CD2 HIS A 98 9.285 2.329 6.269 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.789 3.572 7.988 1.00 0.00 C ATOM 1520 NE2 HIS A 98 9.236 3.606 6.753 1.00 0.00 N ATOM 0 H HIS A 98 9.826 -0.331 5.064 1.00 0.00 H new ATOM 0 HA HIS A 98 10.770 -0.360 7.800 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.002 -0.319 6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.257 -0.293 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.612 2.033 5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.644 4.429 8.629 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.502 4.447 6.240 1.00 0.00 H new ATOM 1529 N ARG A 99 9.841 -3.128 6.426 1.00 0.00 N ATOM 1530 CA ARG A 99 9.771 -4.592 6.579 1.00 0.00 C ATOM 1531 C ARG A 99 11.166 -5.162 6.926 1.00 0.00 C ATOM 1532 O ARG A 99 11.305 -5.985 7.836 1.00 0.00 O ATOM 1533 CB ARG A 99 9.234 -5.221 5.270 1.00 0.00 C ATOM 1534 CG ARG A 99 8.955 -6.733 5.333 1.00 0.00 C ATOM 1535 CD ARG A 99 8.556 -7.313 3.967 1.00 0.00 C ATOM 1536 NE ARG A 99 9.638 -7.163 2.969 1.00 0.00 N ATOM 1537 CZ ARG A 99 9.797 -7.926 1.882 1.00 0.00 C ATOM 1538 NH1 ARG A 99 8.965 -8.921 1.628 1.00 0.00 N ATOM 1539 NH2 ARG A 99 10.790 -7.687 1.042 1.00 0.00 N ATOM 0 H ARG A 99 9.857 -2.821 5.454 1.00 0.00 H new ATOM 0 HA ARG A 99 9.092 -4.838 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.312 -4.710 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.955 -5.034 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.843 -7.249 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.158 -6.923 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.308 -8.369 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.658 -6.811 3.607 1.00 0.00 H new ATOM 0 HE ARG A 99 10.317 -6.418 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.191 -9.114 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.096 -9.496 0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.437 -6.919 1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.909 -8.270 0.214 1.00 0.00 H new ATOM 1553 N ALA A 100 12.188 -4.709 6.183 1.00 0.00 N ATOM 1554 CA ALA A 100 13.585 -5.127 6.387 1.00 0.00 C ATOM 1555 C ALA A 100 14.153 -4.454 7.641 1.00 0.00 C ATOM 1556 O ALA A 100 14.513 -5.123 8.615 1.00 0.00 O ATOM 1557 CB ALA A 100 14.431 -4.781 5.154 1.00 0.00 C ATOM 0 H ALA A 100 12.069 -4.041 5.422 1.00 0.00 H new ATOM 0 HA ALA A 100 13.616 -6.207 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.461 -5.096 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.030 -5.296 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.403 -3.705 4.984 1.00 0.00 H new ATOM 1563 N ALA A 101 14.207 -3.119 7.600 1.00 0.00 N ATOM 1564 CA ALA A 101 14.700 -2.301 8.708 1.00 0.00 C ATOM 1565 C ALA A 101 13.589 -2.113 9.755 1.00 0.00 C ATOM 1566 O ALA A 101 12.892 -1.089 9.784 1.00 0.00 O ATOM 1567 CB ALA A 101 15.239 -0.956 8.181 1.00 0.00 C ATOM 0 H ALA A 101 13.908 -2.574 6.791 1.00 0.00 H new ATOM 0 HA ALA A 101 15.530 -2.810 9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.603 -0.357 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.056 -1.140 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.440 -0.419 7.670 1.00 0.00 H new ATOM 1573 N GLY A 102 13.394 -3.165 10.566 1.00 0.00 N ATOM 1574 CA GLY A 102 12.487 -3.138 11.717 1.00 0.00 C ATOM 1575 C GLY A 102 13.237 -3.393 13.022 1.00 0.00 C ATOM 1576 O GLY A 102 12.632 -3.773 14.032 1.00 0.00 O ATOM 0 H GLY A 102 13.865 -4.061 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.987 -2.171 11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.711 -3.892 11.588 1.00 0.00 H new ATOM 1580 N SER A 103 14.570 -3.185 12.985 1.00 0.00 N ATOM 1581 CA SER A 103 15.463 -3.384 14.132 1.00 0.00 C ATOM 1582 C SER A 103 15.427 -2.141 15.068 1.00 0.00 C ATOM 1583 O SER A 103 14.681 -2.168 16.070 1.00 0.00 O ATOM 1584 CB SER A 103 16.897 -3.708 13.612 1.00 0.00 C ATOM 1585 OG SER A 103 17.346 -2.762 12.650 1.00 0.00 O ATOM 1586 OXT SER A 103 16.104 -1.131 14.783 1.00 0.00 O ATOM 0 H SER A 103 15.056 -2.871 12.145 1.00 0.00 H new ATOM 0 HA SER A 103 15.128 -4.231 14.731 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.591 -3.726 14.452 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.905 -4.704 13.170 1.00 0.00 H new ATOM 0 HG SER A 103 17.138 -1.856 12.960 1.00 0.00 H new TER 1592 SER A 103