USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 862 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 71 SER OG : rot 24:sc= 1.95 USER MOD Set 1.2: A 74 SER OG : rot -126:sc= -0.643 USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00476) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 30 THR OG1 : rot 19:sc= 0.574! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 87:sc= 0.557 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 0.00216 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -114:sc= 0.254 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.1) USER MOD Single : A 80 THR OG1 : rot -88:sc= -0.125! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= -0.113 (180deg=-0.539) USER MOD Single : A 115 HIS : no HD1:sc= -0.334 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.350 -0.364 14.510 1.00 0.00 N ATOM 21 CA LYS A 2 -0.819 -0.498 13.158 1.00 0.00 C ATOM 22 C LYS A 2 -1.918 -0.901 12.180 1.00 0.00 C ATOM 23 O LYS A 2 -2.594 -1.911 12.373 1.00 0.00 O ATOM 24 CB LYS A 2 0.308 -1.533 13.130 1.00 0.00 C ATOM 25 CG LYS A 2 1.390 -1.285 14.170 1.00 0.00 C ATOM 26 CD LYS A 2 2.618 -0.634 13.552 1.00 0.00 C ATOM 27 CE LYS A 2 3.903 -1.225 14.112 1.00 0.00 C ATOM 28 NZ LYS A 2 4.053 -0.949 15.568 1.00 0.00 N ATOM 0 HA LYS A 2 -0.422 0.470 12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.117 -2.524 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.762 -1.536 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.997 -0.646 14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.673 -2.229 14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.596 -0.767 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.597 0.439 13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.911 -2.302 13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.757 -0.812 13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.957 -1.339 15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.037 0.078 15.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.270 -1.394 16.088 1.00 0.00 H new ATOM 42 N ARG A 3 -2.089 -0.104 11.130 1.00 0.00 N ATOM 43 CA ARG A 3 -3.107 -0.378 10.121 1.00 0.00 C ATOM 44 C ARG A 3 -2.634 0.072 8.742 1.00 0.00 C ATOM 45 O ARG A 3 -2.690 1.256 8.413 1.00 0.00 O ATOM 46 CB ARG A 3 -4.417 0.330 10.479 1.00 0.00 C ATOM 47 CG ARG A 3 -4.748 0.293 11.962 1.00 0.00 C ATOM 48 CD ARG A 3 -4.013 1.383 12.726 1.00 0.00 C ATOM 49 NE ARG A 3 -4.875 2.528 13.014 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.491 3.584 13.726 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.262 3.646 14.226 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.338 4.582 13.942 1.00 0.00 N ATOM 0 H ARG A 3 -1.537 0.736 10.955 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.280 -1.454 10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.358 1.369 10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.233 -0.132 9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.823 0.413 12.099 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.482 -0.682 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.629 0.974 13.661 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.152 1.715 12.146 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.827 2.517 12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.607 2.881 14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.974 4.458 14.771 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.284 4.540 13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.044 5.392 14.488 1.00 0.00 H new ATOM 66 N VAL A 4 -2.173 -0.879 7.935 1.00 0.00 N ATOM 67 CA VAL A 4 -1.693 -0.577 6.591 1.00 0.00 C ATOM 68 C VAL A 4 -2.829 -0.680 5.577 1.00 0.00 C ATOM 69 O VAL A 4 -3.855 -1.297 5.849 1.00 0.00 O ATOM 70 CB VAL A 4 -0.550 -1.528 6.185 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.043 -1.126 4.843 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.529 -1.551 7.258 1.00 0.00 C ATOM 0 H VAL A 4 -2.122 -1.866 8.189 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.313 0.445 6.598 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.964 -2.531 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.847 -1.813 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.732 -1.164 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.439 -0.113 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.329 -2.227 6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.933 -0.547 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.099 -1.895 8.199 1.00 0.00 H new ATOM 82 N LEU A 5 -2.646 -0.074 4.410 1.00 0.00 N ATOM 83 CA LEU A 5 -3.666 -0.110 3.369 1.00 0.00 C ATOM 84 C LEU A 5 -3.227 -0.997 2.212 1.00 0.00 C ATOM 85 O LEU A 5 -2.078 -0.941 1.777 1.00 0.00 O ATOM 86 CB LEU A 5 -3.970 1.300 2.859 1.00 0.00 C ATOM 87 CG LEU A 5 -5.209 1.408 1.971 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.456 1.001 2.744 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.351 2.819 1.421 1.00 0.00 C ATOM 0 H LEU A 5 -1.805 0.446 4.161 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.573 -0.528 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.096 1.962 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.107 1.663 2.300 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.091 0.725 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.329 1.084 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.353 -0.029 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.580 1.657 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.239 2.876 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.446 3.524 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.470 3.070 0.830 1.00 0.00 H new ATOM 101 N VAL A 6 -4.146 -1.823 1.723 1.00 0.00 N ATOM 102 CA VAL A 6 -3.839 -2.729 0.620 1.00 0.00 C ATOM 103 C VAL A 6 -4.791 -2.534 -0.555 1.00 0.00 C ATOM 104 O VAL A 6 -5.837 -3.179 -0.635 1.00 0.00 O ATOM 105 CB VAL A 6 -3.904 -4.199 1.067 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.264 -5.099 0.023 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.235 -4.377 2.421 1.00 0.00 C ATOM 0 H VAL A 6 -5.103 -1.885 2.069 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.825 -2.489 0.301 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.951 -4.485 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.318 -6.136 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.794 -4.992 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.220 -4.815 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.291 -5.424 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.190 -4.075 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.744 -3.760 3.162 1.00 0.00 H new ATOM 117 N VAL A 7 -4.420 -1.652 -1.473 1.00 0.00 N ATOM 118 CA VAL A 7 -5.245 -1.389 -2.645 1.00 0.00 C ATOM 119 C VAL A 7 -4.885 -2.326 -3.789 1.00 0.00 C ATOM 120 O VAL A 7 -3.863 -2.151 -4.450 1.00 0.00 O ATOM 121 CB VAL A 7 -5.104 0.070 -3.122 1.00 0.00 C ATOM 122 CG1 VAL A 7 -6.093 0.368 -4.239 1.00 0.00 C ATOM 123 CG2 VAL A 7 -5.294 1.033 -1.961 1.00 0.00 C ATOM 0 H VAL A 7 -3.558 -1.109 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.279 -1.563 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.097 0.206 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.977 1.403 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.903 -0.298 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.109 0.213 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.191 2.058 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.287 0.896 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.540 0.837 -1.198 1.00 0.00 H new ATOM 133 N ASP A 8 -5.733 -3.322 -4.019 1.00 0.00 N ATOM 134 CA ASP A 8 -5.507 -4.289 -5.085 1.00 0.00 C ATOM 135 C ASP A 8 -6.808 -4.583 -5.823 1.00 0.00 C ATOM 136 O ASP A 8 -7.877 -4.645 -5.216 1.00 0.00 O ATOM 137 CB ASP A 8 -4.914 -5.580 -4.511 1.00 0.00 C ATOM 138 CG ASP A 8 -4.765 -6.671 -5.556 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.578 -6.334 -6.744 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.836 -7.861 -5.184 1.00 0.00 O ATOM 0 H ASP A 8 -6.584 -3.481 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.797 -3.865 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.939 -5.365 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.552 -5.940 -3.704 1.00 0.00 H new ATOM 145 N ASP A 9 -6.714 -4.761 -7.136 1.00 0.00 N ATOM 146 CA ASP A 9 -7.887 -5.043 -7.954 1.00 0.00 C ATOM 147 C ASP A 9 -8.159 -6.545 -8.023 1.00 0.00 C ATOM 148 O ASP A 9 -8.366 -7.102 -9.101 1.00 0.00 O ATOM 149 CB ASP A 9 -7.700 -4.467 -9.362 1.00 0.00 C ATOM 150 CG ASP A 9 -8.901 -4.711 -10.256 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.963 -4.108 -10.000 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.777 -5.506 -11.212 1.00 0.00 O ATOM 0 H ASP A 9 -5.838 -4.715 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.750 -4.566 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.517 -3.395 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.816 -4.912 -9.818 1.00 0.00 H new ATOM 157 N GLU A 10 -8.160 -7.194 -6.862 1.00 0.00 N ATOM 158 CA GLU A 10 -8.410 -8.631 -6.789 1.00 0.00 C ATOM 159 C GLU A 10 -8.819 -9.044 -5.377 1.00 0.00 C ATOM 160 O GLU A 10 -8.014 -8.996 -4.448 1.00 0.00 O ATOM 161 CB GLU A 10 -7.165 -9.408 -7.214 1.00 0.00 C ATOM 162 CG GLU A 10 -7.447 -10.857 -7.578 1.00 0.00 C ATOM 163 CD GLU A 10 -8.121 -10.999 -8.929 1.00 0.00 C ATOM 164 OE1 GLU A 10 -8.874 -10.083 -9.316 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.894 -12.029 -9.598 1.00 0.00 O ATOM 0 H GLU A 10 -7.991 -6.749 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.229 -8.865 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.710 -8.909 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.436 -9.381 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.511 -11.415 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.080 -11.304 -6.812 1.00 0.00 H new ATOM 217 N THR A 14 -5.036 -9.141 -0.235 1.00 0.00 N ATOM 218 CA THR A 14 -4.062 -9.652 -1.186 1.00 0.00 C ATOM 219 C THR A 14 -3.477 -10.964 -0.670 1.00 0.00 C ATOM 220 O THR A 14 -3.323 -11.149 0.538 1.00 0.00 O ATOM 221 CB THR A 14 -2.956 -8.623 -1.430 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.236 -8.365 -0.238 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.479 -7.297 -1.948 1.00 0.00 C ATOM 0 HA THR A 14 -4.560 -9.840 -2.137 1.00 0.00 H new ATOM 0 HB THR A 14 -2.312 -9.065 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.533 -7.706 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.645 -6.612 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.997 -7.455 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.171 -6.870 -1.222 1.00 0.00 H new ATOM 231 N SER A 15 -3.173 -11.878 -1.582 1.00 0.00 N ATOM 232 CA SER A 15 -2.627 -13.179 -1.208 1.00 0.00 C ATOM 233 C SER A 15 -1.338 -13.049 -0.402 1.00 0.00 C ATOM 234 O SER A 15 -0.435 -12.300 -0.772 1.00 0.00 O ATOM 235 CB SER A 15 -2.371 -14.020 -2.461 1.00 0.00 C ATOM 236 OG SER A 15 -2.409 -15.405 -2.163 1.00 0.00 O ATOM 0 H SER A 15 -3.295 -11.744 -2.586 1.00 0.00 H new ATOM 0 HA SER A 15 -3.365 -13.673 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.120 -13.787 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.400 -13.762 -2.883 1.00 0.00 H new ATOM 0 HG SER A 15 -2.244 -15.920 -2.980 1.00 0.00 H new ATOM 242 N SER A 16 -1.261 -13.808 0.696 1.00 0.00 N ATOM 243 CA SER A 16 -0.084 -13.826 1.572 1.00 0.00 C ATOM 244 C SER A 16 -0.104 -12.705 2.613 1.00 0.00 C ATOM 245 O SER A 16 0.421 -12.872 3.714 1.00 0.00 O ATOM 246 CB SER A 16 1.207 -13.748 0.754 1.00 0.00 C ATOM 247 OG SER A 16 2.326 -14.146 1.527 1.00 0.00 O ATOM 0 H SER A 16 -2.012 -14.427 1.003 1.00 0.00 H new ATOM 0 HA SER A 16 -0.118 -14.774 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.123 -14.387 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.353 -12.729 0.395 1.00 0.00 H new ATOM 0 HG SER A 16 3.138 -14.089 0.981 1.00 0.00 H new ATOM 253 N LEU A 17 -0.691 -11.564 2.269 1.00 0.00 N ATOM 254 CA LEU A 17 -0.741 -10.433 3.191 1.00 0.00 C ATOM 255 C LEU A 17 -1.616 -10.739 4.405 1.00 0.00 C ATOM 256 O LEU A 17 -1.149 -10.694 5.543 1.00 0.00 O ATOM 257 CB LEU A 17 -1.265 -9.182 2.470 1.00 0.00 C ATOM 258 CG LEU A 17 -0.526 -7.856 2.749 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.475 -6.829 3.347 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.676 -8.050 3.667 1.00 0.00 C ATOM 0 H LEU A 17 -1.136 -11.397 1.366 1.00 0.00 H new ATOM 0 HA LEU A 17 0.274 -10.248 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.232 -9.370 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.313 -9.050 2.738 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.156 -7.490 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.935 -5.901 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.291 -6.638 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.880 -7.211 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.164 -7.090 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.343 -8.459 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.381 -8.739 3.203 1.00 0.00 H new ATOM 272 N SER A 18 -2.890 -11.034 4.159 1.00 0.00 N ATOM 273 CA SER A 18 -3.833 -11.329 5.239 1.00 0.00 C ATOM 274 C SER A 18 -3.249 -12.324 6.240 1.00 0.00 C ATOM 275 O SER A 18 -3.275 -12.091 7.446 1.00 0.00 O ATOM 276 CB SER A 18 -5.144 -11.872 4.665 1.00 0.00 C ATOM 277 OG SER A 18 -6.256 -11.415 5.415 1.00 0.00 O ATOM 0 H SER A 18 -3.294 -11.076 3.224 1.00 0.00 H new ATOM 0 HA SER A 18 -4.030 -10.397 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.248 -11.558 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.122 -12.962 4.668 1.00 0.00 H new ATOM 0 HG SER A 18 -7.082 -11.774 5.028 1.00 0.00 H new ATOM 283 N ALA A 19 -2.714 -13.427 5.741 1.00 0.00 N ATOM 284 CA ALA A 19 -2.119 -14.432 6.611 1.00 0.00 C ATOM 285 C ALA A 19 -0.971 -13.825 7.403 1.00 0.00 C ATOM 286 O ALA A 19 -0.731 -14.177 8.557 1.00 0.00 O ATOM 287 CB ALA A 19 -1.625 -15.610 5.791 1.00 0.00 C ATOM 0 H ALA A 19 -2.679 -13.649 4.746 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.878 -14.786 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.182 -16.354 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.462 -16.055 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.875 -15.268 5.077 1.00 0.00 H new ATOM 293 N ILE A 20 -0.264 -12.909 6.756 1.00 0.00 N ATOM 294 CA ILE A 20 0.872 -12.231 7.364 1.00 0.00 C ATOM 295 C ILE A 20 0.426 -11.167 8.364 1.00 0.00 C ATOM 296 O ILE A 20 0.700 -11.282 9.558 1.00 0.00 O ATOM 297 CB ILE A 20 1.765 -11.585 6.282 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.568 -12.658 5.554 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.694 -10.540 6.883 1.00 0.00 C ATOM 300 CD1 ILE A 20 3.110 -12.200 4.219 1.00 0.00 C ATOM 0 H ILE A 20 -0.461 -12.616 5.799 1.00 0.00 H new ATOM 0 HA ILE A 20 1.446 -12.985 7.902 1.00 0.00 H new ATOM 0 HB ILE A 20 1.117 -11.080 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.398 -12.972 6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.936 -13.533 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.309 -10.104 6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.102 -9.757 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.337 -11.010 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.671 -13.012 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.283 -11.913 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.768 -11.344 4.368 1.00 0.00 H new ATOM 312 N LEU A 21 -0.247 -10.122 7.880 1.00 0.00 N ATOM 313 CA LEU A 21 -0.694 -9.052 8.765 1.00 0.00 C ATOM 314 C LEU A 21 -1.560 -9.577 9.916 1.00 0.00 C ATOM 315 O LEU A 21 -1.830 -8.854 10.875 1.00 0.00 O ATOM 316 CB LEU A 21 -1.370 -7.907 7.974 1.00 0.00 C ATOM 317 CG LEU A 21 -2.761 -8.162 7.411 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.747 -8.101 5.894 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.279 -9.485 7.892 1.00 0.00 C ATOM 0 H LEU A 21 -0.490 -9.996 6.897 1.00 0.00 H new ATOM 0 HA LEU A 21 0.192 -8.624 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.427 -7.036 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.716 -7.641 7.144 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.431 -7.380 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.751 -8.286 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.413 -7.114 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.066 -8.859 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.275 -9.656 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.609 -10.279 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.330 -9.482 8.981 1.00 0.00 H new ATOM 331 N GLU A 22 -1.977 -10.844 9.827 1.00 0.00 N ATOM 332 CA GLU A 22 -2.786 -11.458 10.871 1.00 0.00 C ATOM 333 C GLU A 22 -1.888 -12.076 11.936 1.00 0.00 C ATOM 334 O GLU A 22 -2.275 -12.193 13.099 1.00 0.00 O ATOM 335 CB GLU A 22 -3.705 -12.524 10.280 1.00 0.00 C ATOM 336 CG GLU A 22 -5.058 -11.985 9.842 1.00 0.00 C ATOM 337 CD GLU A 22 -6.173 -13.001 10.003 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.901 -14.109 10.510 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.321 -12.687 9.620 1.00 0.00 O ATOM 0 H GLU A 22 -1.765 -11.459 9.042 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.401 -10.684 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.211 -12.983 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.858 -13.310 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.296 -11.095 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.001 -11.677 8.798 1.00 0.00 H new ATOM 346 N GLU A 23 -0.681 -12.468 11.529 1.00 0.00 N ATOM 347 CA GLU A 23 0.278 -13.068 12.443 1.00 0.00 C ATOM 348 C GLU A 23 1.049 -11.984 13.193 1.00 0.00 C ATOM 349 O GLU A 23 1.381 -12.143 14.369 1.00 0.00 O ATOM 350 CB GLU A 23 1.241 -13.969 11.663 1.00 0.00 C ATOM 351 CG GLU A 23 2.477 -14.373 12.448 1.00 0.00 C ATOM 352 CD GLU A 23 2.755 -15.862 12.376 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.854 -16.653 12.728 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.874 -16.239 11.967 1.00 0.00 O ATOM 0 H GLU A 23 -0.348 -12.379 10.569 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.258 -13.673 13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.710 -14.869 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.552 -13.452 10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.340 -13.828 12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.352 -14.081 13.491 1.00 0.00 H new ATOM 361 N GLU A 24 1.332 -10.886 12.502 1.00 0.00 N ATOM 362 CA GLU A 24 2.064 -9.772 13.093 1.00 0.00 C ATOM 363 C GLU A 24 1.169 -8.949 14.014 1.00 0.00 C ATOM 364 O GLU A 24 1.642 -8.352 14.981 1.00 0.00 O ATOM 365 CB GLU A 24 2.644 -8.882 11.997 1.00 0.00 C ATOM 366 CG GLU A 24 3.958 -9.392 11.424 1.00 0.00 C ATOM 367 CD GLU A 24 3.909 -10.867 11.069 1.00 0.00 C ATOM 368 OE1 GLU A 24 3.124 -11.235 10.170 1.00 0.00 O ATOM 369 OE2 GLU A 24 4.655 -11.652 11.690 1.00 0.00 O ATOM 0 H GLU A 24 1.064 -10.743 11.528 1.00 0.00 H new ATOM 0 HA GLU A 24 2.878 -10.184 13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.916 -8.794 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.798 -7.880 12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.209 -8.816 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.755 -9.223 12.148 1.00 0.00 H new ATOM 376 N GLY A 25 -0.123 -8.917 13.705 1.00 0.00 N ATOM 377 CA GLY A 25 -1.059 -8.160 14.511 1.00 0.00 C ATOM 378 C GLY A 25 -1.307 -6.775 13.950 1.00 0.00 C ATOM 379 O GLY A 25 -1.256 -5.783 14.676 1.00 0.00 O ATOM 0 H GLY A 25 -0.538 -9.403 12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.004 -8.700 14.571 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.675 -8.075 15.528 1.00 0.00 H new ATOM 383 N TYR A 26 -1.569 -6.711 12.650 1.00 0.00 N ATOM 384 CA TYR A 26 -1.820 -5.442 11.977 1.00 0.00 C ATOM 385 C TYR A 26 -3.308 -5.254 11.699 1.00 0.00 C ATOM 386 O TYR A 26 -4.141 -6.040 12.150 1.00 0.00 O ATOM 387 CB TYR A 26 -1.040 -5.388 10.664 1.00 0.00 C ATOM 388 CG TYR A 26 0.413 -5.005 10.826 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.793 -3.672 10.915 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.405 -5.975 10.885 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.121 -3.316 11.058 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.735 -5.628 11.028 1.00 0.00 C ATOM 393 CZ TYR A 26 3.088 -4.299 11.114 1.00 0.00 C ATOM 394 OH TYR A 26 4.411 -3.949 11.255 1.00 0.00 O ATOM 0 H TYR A 26 -1.613 -7.526 12.039 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.489 -4.637 12.633 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.096 -6.363 10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.521 -4.673 9.997 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.038 -2.901 10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.133 -7.018 10.818 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.400 -2.275 11.125 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.494 -6.395 11.072 1.00 0.00 H new ATOM 0 HH TYR A 26 4.963 -4.759 11.279 1.00 0.00 H new ATOM 404 N HIS A 27 -3.629 -4.209 10.945 1.00 0.00 N ATOM 405 CA HIS A 27 -5.009 -3.909 10.589 1.00 0.00 C ATOM 406 C HIS A 27 -5.083 -3.360 9.168 1.00 0.00 C ATOM 407 O HIS A 27 -4.989 -2.152 8.955 1.00 0.00 O ATOM 408 CB HIS A 27 -5.602 -2.898 11.572 1.00 0.00 C ATOM 409 CG HIS A 27 -7.024 -3.186 11.942 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.411 -4.327 12.614 1.00 0.00 N ATOM 411 CD2 HIS A 27 -8.156 -2.472 11.734 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.719 -4.303 12.801 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.193 -3.188 12.277 1.00 0.00 N ATOM 0 H HIS A 27 -2.947 -3.552 10.567 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.588 -4.831 10.640 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.995 -2.885 12.477 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.544 -1.901 11.135 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.229 -1.517 11.234 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.301 -5.065 13.298 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.173 -2.904 12.276 1.00 0.00 H new ATOM 422 N PRO A 28 -5.243 -4.243 8.169 1.00 0.00 N ATOM 423 CA PRO A 28 -5.314 -3.838 6.769 1.00 0.00 C ATOM 424 C PRO A 28 -6.694 -3.324 6.377 1.00 0.00 C ATOM 425 O PRO A 28 -7.714 -3.901 6.754 1.00 0.00 O ATOM 426 CB PRO A 28 -4.984 -5.127 6.027 1.00 0.00 C ATOM 427 CG PRO A 28 -5.507 -6.207 6.909 1.00 0.00 C ATOM 428 CD PRO A 28 -5.358 -5.707 8.326 1.00 0.00 C ATOM 0 HA PRO A 28 -4.641 -3.011 6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.457 -5.152 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.911 -5.230 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.551 -6.424 6.681 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.950 -7.132 6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.218 -5.978 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.477 -6.129 8.809 1.00 0.00 H new ATOM 436 N ASP A 29 -6.717 -2.234 5.615 1.00 0.00 N ATOM 437 CA ASP A 29 -7.979 -1.650 5.174 1.00 0.00 C ATOM 438 C ASP A 29 -8.314 -2.055 3.750 1.00 0.00 C ATOM 439 O ASP A 29 -9.355 -1.678 3.215 1.00 0.00 O ATOM 440 CB ASP A 29 -7.955 -0.132 5.316 1.00 0.00 C ATOM 441 CG ASP A 29 -8.958 0.367 6.338 1.00 0.00 C ATOM 442 OD1 ASP A 29 -8.706 0.198 7.549 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.995 0.928 5.926 1.00 0.00 O ATOM 0 H ASP A 29 -5.884 -1.741 5.293 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.765 -2.041 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.954 0.188 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.167 0.324 4.349 1.00 0.00 H new ATOM 448 N THR A 30 -7.410 -2.822 3.166 1.00 0.00 N ATOM 449 CA THR A 30 -7.512 -3.339 1.794 1.00 0.00 C ATOM 450 C THR A 30 -8.669 -2.760 0.980 1.00 0.00 C ATOM 451 O THR A 30 -9.835 -2.870 1.353 1.00 0.00 O ATOM 452 CB THR A 30 -7.626 -4.861 1.817 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.932 -5.259 2.197 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.648 -5.520 2.764 1.00 0.00 C ATOM 0 H THR A 30 -6.556 -3.116 3.639 1.00 0.00 H new ATOM 0 HA THR A 30 -6.597 -3.019 1.295 1.00 0.00 H new ATOM 0 HB THR A 30 -7.395 -5.185 0.802 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.551 -4.509 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.782 -6.601 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.629 -5.272 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.826 -5.162 3.778 1.00 0.00 H new ATOM 462 N ALA A 31 -8.323 -2.177 -0.164 1.00 0.00 N ATOM 463 CA ALA A 31 -9.309 -1.607 -1.069 1.00 0.00 C ATOM 464 C ALA A 31 -9.390 -2.434 -2.349 1.00 0.00 C ATOM 465 O ALA A 31 -8.933 -3.576 -2.385 1.00 0.00 O ATOM 466 CB ALA A 31 -8.961 -0.160 -1.387 1.00 0.00 C ATOM 0 H ALA A 31 -7.359 -2.088 -0.486 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.284 -1.627 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.708 0.253 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.946 0.422 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.979 -0.117 -1.859 1.00 0.00 H new ATOM 472 N LYS A 32 -9.971 -1.860 -3.397 1.00 0.00 N ATOM 473 CA LYS A 32 -10.101 -2.563 -4.670 1.00 0.00 C ATOM 474 C LYS A 32 -9.345 -1.843 -5.782 1.00 0.00 C ATOM 475 O LYS A 32 -8.886 -2.468 -6.738 1.00 0.00 O ATOM 476 CB LYS A 32 -11.575 -2.705 -5.052 1.00 0.00 C ATOM 477 CG LYS A 32 -12.471 -3.098 -3.888 1.00 0.00 C ATOM 478 CD LYS A 32 -13.919 -3.245 -4.325 1.00 0.00 C ATOM 479 CE LYS A 32 -14.876 -2.750 -3.255 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.287 -3.114 -3.561 1.00 0.00 N ATOM 0 H LYS A 32 -10.357 -0.916 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.664 -3.554 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.927 -1.761 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.667 -3.453 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.122 -4.038 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.401 -2.345 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.081 -2.685 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.129 -4.291 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.593 -3.173 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.792 -1.667 -3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.909 -2.758 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.566 -2.690 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.373 -4.149 -3.621 1.00 0.00 H new ATOM 494 N THR A 33 -9.215 -0.528 -5.653 1.00 0.00 N ATOM 495 CA THR A 33 -8.513 0.269 -6.651 1.00 0.00 C ATOM 496 C THR A 33 -8.218 1.667 -6.118 1.00 0.00 C ATOM 497 O THR A 33 -8.376 1.932 -4.926 1.00 0.00 O ATOM 498 CB THR A 33 -9.338 0.361 -7.940 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.476 -0.480 -7.871 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.558 -0.025 -9.178 1.00 0.00 C ATOM 0 H THR A 33 -9.586 0.008 -4.868 1.00 0.00 H new ATOM 0 HA THR A 33 -7.566 -0.224 -6.873 1.00 0.00 H new ATOM 0 HB THR A 33 -9.627 1.409 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.213 0.001 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.200 0.062 -10.054 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.700 0.638 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.211 -1.054 -9.083 1.00 0.00 H new ATOM 508 N LEU A 34 -7.789 2.555 -7.006 1.00 0.00 N ATOM 509 CA LEU A 34 -7.473 3.924 -6.624 1.00 0.00 C ATOM 510 C LEU A 34 -8.724 4.657 -6.154 1.00 0.00 C ATOM 511 O LEU A 34 -8.701 5.360 -5.144 1.00 0.00 O ATOM 512 CB LEU A 34 -6.835 4.668 -7.798 1.00 0.00 C ATOM 513 CG LEU A 34 -5.707 3.910 -8.500 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.173 4.714 -9.676 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.591 3.589 -7.517 1.00 0.00 C ATOM 0 H LEU A 34 -7.652 2.351 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.763 3.893 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.610 4.897 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.445 5.620 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.108 2.972 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.371 4.158 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.977 4.892 -10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.788 5.669 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.796 3.050 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.192 4.516 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.984 2.971 -6.709 1.00 0.00 H new ATOM 527 N ARG A 35 -9.820 4.482 -6.887 1.00 0.00 N ATOM 528 CA ARG A 35 -11.082 5.123 -6.534 1.00 0.00 C ATOM 529 C ARG A 35 -11.507 4.723 -5.124 1.00 0.00 C ATOM 530 O ARG A 35 -11.814 5.576 -4.290 1.00 0.00 O ATOM 531 CB ARG A 35 -12.171 4.741 -7.540 1.00 0.00 C ATOM 532 CG ARG A 35 -12.450 5.820 -8.573 1.00 0.00 C ATOM 533 CD ARG A 35 -11.695 5.561 -9.867 1.00 0.00 C ATOM 534 NE ARG A 35 -12.064 4.280 -10.469 1.00 0.00 N ATOM 535 CZ ARG A 35 -11.208 3.283 -10.700 1.00 0.00 C ATOM 536 NH1 ARG A 35 -9.924 3.405 -10.382 1.00 0.00 N ATOM 537 NH2 ARG A 35 -11.640 2.158 -11.252 1.00 0.00 N ATOM 0 H ARG A 35 -9.859 3.904 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.940 6.203 -6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.875 3.826 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.092 4.520 -7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.520 5.862 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.164 6.792 -8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.899 6.366 -10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.623 5.574 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.040 4.140 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.584 4.267 -9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.278 2.636 -10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.624 2.056 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.988 1.394 -11.430 1.00 0.00 H new ATOM 551 N GLU A 36 -11.514 3.420 -4.866 1.00 0.00 N ATOM 552 CA GLU A 36 -11.892 2.902 -3.557 1.00 0.00 C ATOM 553 C GLU A 36 -10.835 3.250 -2.513 1.00 0.00 C ATOM 554 O GLU A 36 -11.144 3.410 -1.332 1.00 0.00 O ATOM 555 CB GLU A 36 -12.083 1.384 -3.621 1.00 0.00 C ATOM 556 CG GLU A 36 -13.405 0.963 -4.241 1.00 0.00 C ATOM 557 CD GLU A 36 -13.250 0.464 -5.663 1.00 0.00 C ATOM 558 OE1 GLU A 36 -12.226 0.793 -6.300 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.151 -0.257 -6.142 1.00 0.00 O ATOM 0 H GLU A 36 -11.262 2.703 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.834 3.366 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.266 0.947 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.017 0.975 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.854 0.179 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.093 1.809 -4.230 1.00 0.00 H new ATOM 566 N ALA A 37 -9.585 3.367 -2.956 1.00 0.00 N ATOM 567 CA ALA A 37 -8.486 3.697 -2.057 1.00 0.00 C ATOM 568 C ALA A 37 -8.509 5.173 -1.682 1.00 0.00 C ATOM 569 O ALA A 37 -8.087 5.551 -0.590 1.00 0.00 O ATOM 570 CB ALA A 37 -7.154 3.329 -2.691 1.00 0.00 C ATOM 0 H ALA A 37 -9.310 3.238 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.610 3.116 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.344 3.582 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.133 2.259 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.029 3.882 -3.622 1.00 0.00 H new ATOM 576 N GLU A 38 -9.019 6.004 -2.585 1.00 0.00 N ATOM 577 CA GLU A 38 -9.111 7.434 -2.329 1.00 0.00 C ATOM 578 C GLU A 38 -10.216 7.709 -1.322 1.00 0.00 C ATOM 579 O GLU A 38 -10.086 8.579 -0.460 1.00 0.00 O ATOM 580 CB GLU A 38 -9.376 8.196 -3.626 1.00 0.00 C ATOM 581 CG GLU A 38 -8.152 8.320 -4.518 1.00 0.00 C ATOM 582 CD GLU A 38 -8.458 9.001 -5.838 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.543 8.743 -6.402 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.613 9.793 -6.307 1.00 0.00 O ATOM 0 H GLU A 38 -9.373 5.712 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.162 7.777 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.169 7.692 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.741 9.194 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.380 8.883 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.746 7.327 -4.711 1.00 0.00 H new ATOM 591 N LYS A 39 -11.301 6.949 -1.431 1.00 0.00 N ATOM 592 CA LYS A 39 -12.429 7.092 -0.523 1.00 0.00 C ATOM 593 C LYS A 39 -12.038 6.632 0.878 1.00 0.00 C ATOM 594 O LYS A 39 -12.478 7.204 1.876 1.00 0.00 O ATOM 595 CB LYS A 39 -13.626 6.283 -1.030 1.00 0.00 C ATOM 596 CG LYS A 39 -14.806 6.268 -0.070 1.00 0.00 C ATOM 597 CD LYS A 39 -14.655 5.178 0.978 1.00 0.00 C ATOM 598 CE LYS A 39 -16.006 4.681 1.463 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.894 3.925 2.742 1.00 0.00 N ATOM 0 H LYS A 39 -11.421 6.227 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.712 8.144 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.952 6.694 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.307 5.257 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.890 7.238 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.729 6.113 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.089 4.346 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.082 5.561 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.677 5.529 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.452 4.042 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.837 3.603 3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.274 3.101 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.492 4.542 3.476 1.00 0.00 H new ATOM 613 N LYS A 40 -11.201 5.599 0.944 1.00 0.00 N ATOM 614 CA LYS A 40 -10.746 5.068 2.222 1.00 0.00 C ATOM 615 C LYS A 40 -9.705 5.990 2.849 1.00 0.00 C ATOM 616 O LYS A 40 -9.621 6.107 4.071 1.00 0.00 O ATOM 617 CB LYS A 40 -10.159 3.669 2.038 1.00 0.00 C ATOM 618 CG LYS A 40 -11.204 2.603 1.754 1.00 0.00 C ATOM 619 CD LYS A 40 -11.383 1.664 2.937 1.00 0.00 C ATOM 620 CE LYS A 40 -12.671 0.863 2.828 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.407 -0.581 2.576 1.00 0.00 N ATOM 0 H LYS A 40 -10.826 5.115 0.128 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.605 5.007 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.442 3.690 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.607 3.395 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.156 3.079 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.910 2.030 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.534 0.983 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.390 2.241 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.245 0.972 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.282 1.267 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.245 -1.138 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.198 -0.725 1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.593 -0.890 3.145 1.00 0.00 H new ATOM 635 N ILE A 41 -8.915 6.643 2.002 1.00 0.00 N ATOM 636 CA ILE A 41 -7.881 7.556 2.472 1.00 0.00 C ATOM 637 C ILE A 41 -8.440 8.962 2.682 1.00 0.00 C ATOM 638 O ILE A 41 -7.902 9.742 3.468 1.00 0.00 O ATOM 639 CB ILE A 41 -6.702 7.619 1.481 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.125 6.220 1.253 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.622 8.565 1.987 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.441 6.059 -0.087 1.00 0.00 C ATOM 0 H ILE A 41 -8.972 6.556 0.987 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.523 7.170 3.426 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.072 8.003 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.411 5.997 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.928 5.487 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.800 8.594 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.039 9.566 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.253 8.214 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.056 5.043 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.157 6.250 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.616 6.768 -0.162 1.00 0.00 H new ATOM 654 N LYS A 42 -9.522 9.279 1.975 1.00 0.00 N ATOM 655 CA LYS A 42 -10.152 10.592 2.086 1.00 0.00 C ATOM 656 C LYS A 42 -10.436 10.948 3.545 1.00 0.00 C ATOM 657 O LYS A 42 -10.514 12.124 3.901 1.00 0.00 O ATOM 658 CB LYS A 42 -11.446 10.628 1.278 1.00 0.00 C ATOM 659 CG LYS A 42 -11.487 11.743 0.245 1.00 0.00 C ATOM 660 CD LYS A 42 -12.322 12.919 0.725 1.00 0.00 C ATOM 661 CE LYS A 42 -13.808 12.657 0.544 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.641 13.679 1.237 1.00 0.00 N ATOM 0 H LYS A 42 -9.980 8.646 1.320 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.459 11.331 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.576 9.671 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.288 10.745 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.472 12.079 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.899 11.360 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.111 13.111 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.040 13.816 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.049 12.652 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.052 11.667 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.648 13.465 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.430 13.666 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.427 14.621 0.851 1.00 0.00 H new ATOM 676 N GLU A 43 -10.590 9.926 4.381 1.00 0.00 N ATOM 677 CA GLU A 43 -10.864 10.133 5.797 1.00 0.00 C ATOM 678 C GLU A 43 -9.836 9.411 6.662 1.00 0.00 C ATOM 679 O GLU A 43 -9.103 10.039 7.426 1.00 0.00 O ATOM 680 CB GLU A 43 -12.272 9.646 6.142 1.00 0.00 C ATOM 681 CG GLU A 43 -13.365 10.315 5.324 1.00 0.00 C ATOM 682 CD GLU A 43 -14.756 9.896 5.758 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.184 8.783 5.386 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.418 10.682 6.467 1.00 0.00 O ATOM 0 H GLU A 43 -10.530 8.947 4.102 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.797 11.201 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.323 8.568 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.460 9.826 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.271 11.397 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.227 10.070 4.271 1.00 0.00 H new ATOM 691 N LEU A 44 -9.787 8.089 6.536 1.00 0.00 N ATOM 692 CA LEU A 44 -8.847 7.283 7.306 1.00 0.00 C ATOM 693 C LEU A 44 -7.408 7.685 6.996 1.00 0.00 C ATOM 694 O LEU A 44 -6.979 7.650 5.844 1.00 0.00 O ATOM 695 CB LEU A 44 -9.055 5.795 7.008 1.00 0.00 C ATOM 696 CG LEU A 44 -9.461 4.945 8.212 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.416 5.043 9.312 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.826 5.375 8.729 1.00 0.00 C ATOM 0 H LEU A 44 -10.387 7.553 5.908 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.033 7.461 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.821 5.698 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.132 5.391 6.592 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.525 3.904 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.723 4.431 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.457 4.687 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.318 6.081 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.101 4.760 9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.788 6.422 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.569 5.252 7.941 1.00 0.00 H new ATOM 710 N PHE A 45 -6.669 8.067 8.032 1.00 0.00 N ATOM 711 CA PHE A 45 -5.280 8.478 7.870 1.00 0.00 C ATOM 712 C PHE A 45 -4.336 7.293 8.052 1.00 0.00 C ATOM 713 O PHE A 45 -3.691 7.155 9.092 1.00 0.00 O ATOM 714 CB PHE A 45 -4.933 9.581 8.871 1.00 0.00 C ATOM 715 CG PHE A 45 -3.536 10.115 8.717 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.262 11.118 7.802 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.501 9.613 9.488 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.978 11.611 7.659 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.215 10.102 9.349 1.00 0.00 C ATOM 720 CZ PHE A 45 -0.954 11.103 8.434 1.00 0.00 C ATOM 0 H PHE A 45 -7.009 8.100 8.993 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.157 8.864 6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.641 10.401 8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.056 9.194 9.883 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.059 11.519 7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.700 8.831 10.206 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.776 12.393 6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.416 9.702 9.955 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.049 11.488 8.325 1.00 0.00 H new ATOM 730 N PHE A 46 -4.257 6.442 7.035 1.00 0.00 N ATOM 731 CA PHE A 46 -3.386 5.272 7.086 1.00 0.00 C ATOM 732 C PHE A 46 -1.920 5.693 7.154 1.00 0.00 C ATOM 733 O PHE A 46 -1.516 6.649 6.494 1.00 0.00 O ATOM 734 CB PHE A 46 -3.603 4.389 5.854 1.00 0.00 C ATOM 735 CG PHE A 46 -5.010 3.886 5.699 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.576 3.061 6.658 1.00 0.00 C ATOM 737 CD2 PHE A 46 -5.763 4.232 4.589 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.868 2.593 6.512 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.054 3.767 4.438 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.609 2.947 5.400 1.00 0.00 C ATOM 0 H PHE A 46 -4.784 6.539 6.167 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.636 4.707 7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.331 4.954 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.927 3.535 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.001 2.781 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.335 4.873 3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.299 1.951 7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.630 4.045 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.619 2.583 5.284 1.00 0.00 H new ATOM 750 N PRO A 47 -1.096 4.978 7.946 1.00 0.00 N ATOM 751 CA PRO A 47 0.327 5.274 8.084 1.00 0.00 C ATOM 752 C PRO A 47 1.152 4.627 6.972 1.00 0.00 C ATOM 753 O PRO A 47 2.277 5.041 6.695 1.00 0.00 O ATOM 754 CB PRO A 47 0.696 4.661 9.445 1.00 0.00 C ATOM 755 CG PRO A 47 -0.521 3.926 9.926 1.00 0.00 C ATOM 756 CD PRO A 47 -1.468 3.824 8.763 1.00 0.00 C ATOM 0 HA PRO A 47 0.530 6.343 8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.545 3.984 9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.986 5.437 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.252 2.935 10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.987 4.456 10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.344 2.887 8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.509 3.872 9.083 1.00 0.00 H new ATOM 764 N VAL A 48 0.579 3.605 6.345 1.00 0.00 N ATOM 765 CA VAL A 48 1.240 2.885 5.269 1.00 0.00 C ATOM 766 C VAL A 48 0.231 2.400 4.234 1.00 0.00 C ATOM 767 O VAL A 48 -0.803 1.834 4.584 1.00 0.00 O ATOM 768 CB VAL A 48 1.998 1.672 5.819 1.00 0.00 C ATOM 769 CG1 VAL A 48 3.003 1.149 4.807 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.672 2.040 7.121 1.00 0.00 C ATOM 0 H VAL A 48 -0.353 3.256 6.569 1.00 0.00 H new ATOM 0 HA VAL A 48 1.939 3.575 4.797 1.00 0.00 H new ATOM 0 HB VAL A 48 1.286 0.869 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.526 0.289 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.482 0.850 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.724 1.932 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.210 1.175 7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.373 2.857 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.919 2.354 7.844 1.00 0.00 H new ATOM 780 N ILE A 49 0.537 2.625 2.965 1.00 0.00 N ATOM 781 CA ILE A 49 -0.339 2.206 1.880 1.00 0.00 C ATOM 782 C ILE A 49 0.357 1.169 1.006 1.00 0.00 C ATOM 783 O ILE A 49 1.586 1.098 0.978 1.00 0.00 O ATOM 784 CB ILE A 49 -0.765 3.402 1.006 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.227 4.566 1.885 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.866 2.989 0.041 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.430 4.236 2.742 1.00 0.00 C ATOM 0 H ILE A 49 1.388 3.097 2.660 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.230 1.769 2.331 1.00 0.00 H new ATOM 0 HB ILE A 49 0.096 3.731 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.404 4.872 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.467 5.418 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.155 3.845 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.503 2.190 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.730 2.636 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.702 5.107 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.268 3.959 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.188 3.404 3.404 1.00 0.00 H new ATOM 799 N VAL A 50 -0.428 0.367 0.295 1.00 0.00 N ATOM 800 CA VAL A 50 0.131 -0.660 -0.572 1.00 0.00 C ATOM 801 C VAL A 50 -0.775 -0.923 -1.766 1.00 0.00 C ATOM 802 O VAL A 50 -1.747 -1.673 -1.675 1.00 0.00 O ATOM 803 CB VAL A 50 0.366 -1.975 0.195 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.892 -3.061 -0.733 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.327 -1.740 1.345 1.00 0.00 C ATOM 0 H VAL A 50 -1.447 0.409 0.302 1.00 0.00 H new ATOM 0 HA VAL A 50 1.091 -0.287 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.588 -2.316 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.049 -3.979 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.167 -3.244 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.836 -2.739 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.487 -2.675 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.278 -1.377 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.907 -0.999 2.025 1.00 0.00 H new ATOM 815 N LEU A 51 -0.441 -0.300 -2.886 1.00 0.00 N ATOM 816 CA LEU A 51 -1.211 -0.459 -4.113 1.00 0.00 C ATOM 817 C LEU A 51 -0.641 -1.587 -4.967 1.00 0.00 C ATOM 818 O LEU A 51 0.558 -1.633 -5.239 1.00 0.00 O ATOM 819 CB LEU A 51 -1.225 0.851 -4.908 1.00 0.00 C ATOM 820 CG LEU A 51 -1.810 0.754 -6.321 1.00 0.00 C ATOM 821 CD1 LEU A 51 -3.310 0.996 -6.295 1.00 0.00 C ATOM 822 CD2 LEU A 51 -1.123 1.744 -7.250 1.00 0.00 C ATOM 0 H LEU A 51 0.362 0.323 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.235 -0.716 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.795 1.591 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.203 1.224 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.633 -0.253 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.708 0.923 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.788 0.248 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.511 1.990 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.550 1.662 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.269 2.757 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.056 1.523 -7.292 1.00 0.00 H new ATOM 834 N ASP A 52 -1.516 -2.490 -5.389 1.00 0.00 N ATOM 835 CA ASP A 52 -1.119 -3.621 -6.219 1.00 0.00 C ATOM 836 C ASP A 52 -1.668 -3.469 -7.635 1.00 0.00 C ATOM 837 O ASP A 52 -2.880 -3.464 -7.845 1.00 0.00 O ATOM 838 CB ASP A 52 -1.614 -4.932 -5.605 1.00 0.00 C ATOM 839 CG ASP A 52 -0.895 -6.143 -6.166 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.986 -6.373 -7.390 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.241 -6.860 -5.381 1.00 0.00 O ATOM 0 H ASP A 52 -2.512 -2.461 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.030 -3.642 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.475 -4.899 -4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.684 -5.033 -5.785 1.00 0.00 H new ATOM 846 N VAL A 53 -0.767 -3.333 -8.601 1.00 0.00 N ATOM 847 CA VAL A 53 -1.154 -3.165 -9.997 1.00 0.00 C ATOM 848 C VAL A 53 -1.555 -4.497 -10.642 1.00 0.00 C ATOM 849 O VAL A 53 -0.988 -4.902 -11.659 1.00 0.00 O ATOM 850 CB VAL A 53 -0.013 -2.508 -10.810 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.510 -1.279 -10.084 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.125 -3.490 -11.071 1.00 0.00 C ATOM 0 H VAL A 53 0.241 -3.336 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.024 -2.508 -10.010 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.422 -2.207 -11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.312 -0.826 -10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.299 -0.559 -9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.892 -1.570 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.909 -2.995 -11.644 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.533 -3.835 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.747 -4.343 -11.635 1.00 0.00 H new ATOM 862 N TRP A 54 -2.539 -5.177 -10.056 1.00 0.00 N ATOM 863 CA TRP A 54 -2.995 -6.453 -10.596 1.00 0.00 C ATOM 864 C TRP A 54 -3.581 -6.271 -11.996 1.00 0.00 C ATOM 865 O TRP A 54 -2.891 -6.468 -12.996 1.00 0.00 O ATOM 866 CB TRP A 54 -4.027 -7.097 -9.666 1.00 0.00 C ATOM 867 CG TRP A 54 -4.556 -8.400 -10.184 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.866 -8.749 -10.351 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.784 -9.528 -10.607 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.955 -10.026 -10.847 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.689 -10.526 -11.015 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.415 -9.792 -10.681 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.268 -11.766 -11.488 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.996 -11.023 -11.151 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.921 -11.997 -11.549 1.00 0.00 C ATOM 0 H TRP A 54 -3.030 -4.869 -9.217 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.133 -7.116 -10.667 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.574 -7.259 -8.688 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.858 -6.406 -9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.709 -8.113 -10.126 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.821 -10.522 -11.056 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.695 -9.047 -10.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.979 -12.518 -11.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.939 -11.237 -11.212 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.563 -12.950 -11.911 1.00 0.00 H new ATOM 886 N MET A 55 -4.854 -5.890 -12.063 1.00 0.00 N ATOM 887 CA MET A 55 -5.521 -5.678 -13.343 1.00 0.00 C ATOM 888 C MET A 55 -6.567 -4.564 -13.246 1.00 0.00 C ATOM 889 O MET A 55 -7.676 -4.701 -13.762 1.00 0.00 O ATOM 890 CB MET A 55 -6.183 -6.976 -13.812 1.00 0.00 C ATOM 891 CG MET A 55 -6.572 -6.966 -15.282 1.00 0.00 C ATOM 892 SD MET A 55 -7.493 -8.439 -15.766 1.00 0.00 S ATOM 893 CE MET A 55 -6.900 -8.676 -17.439 1.00 0.00 C ATOM 0 H MET A 55 -5.443 -5.722 -11.247 1.00 0.00 H new ATOM 0 HA MET A 55 -4.767 -5.374 -14.069 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.502 -7.807 -13.631 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.074 -7.157 -13.211 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.174 -6.081 -15.489 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.672 -6.888 -15.892 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.380 -9.553 -17.874 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.139 -7.797 -18.038 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.820 -8.823 -17.425 1.00 0.00 H new ATOM 903 N PRO A 56 -6.229 -3.438 -12.586 1.00 0.00 N ATOM 904 CA PRO A 56 -7.151 -2.309 -12.434 1.00 0.00 C ATOM 905 C PRO A 56 -7.261 -1.480 -13.711 1.00 0.00 C ATOM 906 O PRO A 56 -6.840 -1.915 -14.783 1.00 0.00 O ATOM 907 CB PRO A 56 -6.508 -1.489 -11.317 1.00 0.00 C ATOM 908 CG PRO A 56 -5.050 -1.753 -11.459 1.00 0.00 C ATOM 909 CD PRO A 56 -4.927 -3.175 -11.936 1.00 0.00 C ATOM 0 HA PRO A 56 -8.169 -2.631 -12.216 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.732 -0.428 -11.423 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.874 -1.796 -10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.597 -1.063 -12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.535 -1.615 -10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.099 -3.293 -12.635 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.746 -3.861 -11.109 1.00 0.00 H new ATOM 917 N ASP A 57 -7.828 -0.283 -13.589 1.00 0.00 N ATOM 918 CA ASP A 57 -7.991 0.605 -14.735 1.00 0.00 C ATOM 919 C ASP A 57 -7.366 1.970 -14.462 1.00 0.00 C ATOM 920 O ASP A 57 -6.700 2.541 -15.325 1.00 0.00 O ATOM 921 CB ASP A 57 -9.473 0.768 -15.072 1.00 0.00 C ATOM 922 CG ASP A 57 -10.150 -0.559 -15.359 1.00 0.00 C ATOM 923 OD1 ASP A 57 -9.802 -1.195 -16.375 1.00 0.00 O ATOM 924 OD2 ASP A 57 -11.028 -0.960 -14.566 1.00 0.00 O ATOM 0 H ASP A 57 -8.182 0.094 -12.709 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.478 0.156 -15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.980 1.259 -14.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.576 1.420 -15.939 1.00 0.00 H new ATOM 929 N GLY A 58 -7.588 2.489 -13.258 1.00 0.00 N ATOM 930 CA GLY A 58 -7.041 3.784 -12.896 1.00 0.00 C ATOM 931 C GLY A 58 -5.525 3.784 -12.860 1.00 0.00 C ATOM 932 O GLY A 58 -4.904 2.772 -12.535 1.00 0.00 O ATOM 0 H GLY A 58 -8.137 2.036 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.384 4.532 -13.610 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.425 4.077 -11.919 1.00 0.00 H new ATOM 936 N ASP A 59 -4.927 4.925 -13.192 1.00 0.00 N ATOM 937 CA ASP A 59 -3.474 5.054 -13.195 1.00 0.00 C ATOM 938 C ASP A 59 -2.937 5.185 -11.775 1.00 0.00 C ATOM 939 O ASP A 59 -3.232 6.153 -11.075 1.00 0.00 O ATOM 940 CB ASP A 59 -3.050 6.265 -14.027 1.00 0.00 C ATOM 941 CG ASP A 59 -1.655 6.113 -14.601 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.323 5.003 -15.070 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.893 7.103 -14.581 1.00 0.00 O ATOM 0 H ASP A 59 -5.426 5.772 -13.462 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.055 4.152 -13.641 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.761 6.410 -14.841 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.089 7.160 -13.406 1.00 0.00 H new ATOM 948 N GLY A 60 -2.144 4.204 -11.354 1.00 0.00 N ATOM 949 CA GLY A 60 -1.579 4.228 -10.019 1.00 0.00 C ATOM 950 C GLY A 60 -0.471 5.255 -9.874 1.00 0.00 C ATOM 951 O GLY A 60 -0.264 5.804 -8.792 1.00 0.00 O ATOM 0 H GLY A 60 -1.883 3.393 -11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.367 4.445 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.188 3.240 -9.776 1.00 0.00 H new ATOM 955 N VAL A 61 0.243 5.513 -10.966 1.00 0.00 N ATOM 956 CA VAL A 61 1.334 6.474 -10.962 1.00 0.00 C ATOM 957 C VAL A 61 0.880 7.834 -10.439 1.00 0.00 C ATOM 958 O VAL A 61 1.569 8.462 -9.636 1.00 0.00 O ATOM 959 CB VAL A 61 1.916 6.648 -12.375 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.162 7.509 -12.333 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.219 5.294 -13.000 1.00 0.00 C ATOM 0 H VAL A 61 0.082 5.065 -11.868 1.00 0.00 H new ATOM 0 HA VAL A 61 2.103 6.080 -10.297 1.00 0.00 H new ATOM 0 HB VAL A 61 1.173 7.150 -12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.561 7.622 -13.341 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.913 8.490 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.910 7.035 -11.698 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.630 5.438 -13.999 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.943 4.762 -12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.301 4.710 -13.066 1.00 0.00 H new ATOM 971 N ASN A 62 -0.280 8.286 -10.905 1.00 0.00 N ATOM 972 CA ASN A 62 -0.823 9.575 -10.487 1.00 0.00 C ATOM 973 C ASN A 62 -1.547 9.476 -9.142 1.00 0.00 C ATOM 974 O ASN A 62 -2.081 10.467 -8.647 1.00 0.00 O ATOM 975 CB ASN A 62 -1.777 10.116 -11.554 1.00 0.00 C ATOM 976 CG ASN A 62 -1.375 11.492 -12.044 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.134 12.454 -11.922 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.174 11.593 -12.603 1.00 0.00 N ATOM 0 H ASN A 62 -0.862 7.779 -11.572 1.00 0.00 H new ATOM 0 HA ASN A 62 0.015 10.262 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.803 9.426 -12.398 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.787 10.159 -11.146 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.152 12.494 -12.952 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.422 10.769 -12.683 1.00 0.00 H new ATOM 985 N PHE A 63 -1.565 8.281 -8.555 1.00 0.00 N ATOM 986 CA PHE A 63 -2.228 8.077 -7.272 1.00 0.00 C ATOM 987 C PHE A 63 -1.266 8.319 -6.114 1.00 0.00 C ATOM 988 O PHE A 63 -1.662 8.806 -5.054 1.00 0.00 O ATOM 989 CB PHE A 63 -2.802 6.660 -7.185 1.00 0.00 C ATOM 990 CG PHE A 63 -3.506 6.377 -5.888 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.449 7.264 -5.391 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.225 5.229 -5.166 1.00 0.00 C ATOM 993 CE1 PHE A 63 -5.097 7.010 -4.198 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.871 4.970 -3.971 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.807 5.862 -3.487 1.00 0.00 C ATOM 0 H PHE A 63 -1.130 7.445 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.044 8.796 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.500 6.508 -8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.994 5.940 -7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.679 8.163 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.493 4.528 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.830 7.708 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.644 4.071 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.312 5.662 -2.553 1.00 0.00 H new ATOM 1005 N ILE A 64 0.003 7.977 -6.323 1.00 0.00 N ATOM 1006 CA ILE A 64 1.028 8.156 -5.299 1.00 0.00 C ATOM 1007 C ILE A 64 0.963 9.553 -4.682 1.00 0.00 C ATOM 1008 O ILE A 64 1.333 9.747 -3.525 1.00 0.00 O ATOM 1009 CB ILE A 64 2.439 7.917 -5.878 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.547 6.499 -6.446 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.507 8.153 -4.817 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.739 6.465 -7.946 1.00 0.00 C ATOM 0 H ILE A 64 0.346 7.573 -7.195 1.00 0.00 H new ATOM 0 HA ILE A 64 0.832 7.419 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 64 2.604 8.629 -6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.383 5.987 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.645 5.943 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.493 7.979 -5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.444 9.181 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.349 7.469 -3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.808 5.430 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.892 6.948 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.656 6.992 -8.207 1.00 0.00 H new ATOM 1024 N ASP A 65 0.486 10.520 -5.459 1.00 0.00 N ATOM 1025 CA ASP A 65 0.372 11.893 -4.979 1.00 0.00 C ATOM 1026 C ASP A 65 -0.872 12.060 -4.113 1.00 0.00 C ATOM 1027 O ASP A 65 -0.878 12.843 -3.166 1.00 0.00 O ATOM 1028 CB ASP A 65 0.328 12.867 -6.156 1.00 0.00 C ATOM 1029 CG ASP A 65 0.373 14.316 -5.710 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.385 14.676 -4.785 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.167 15.090 -6.285 1.00 0.00 O ATOM 0 H ASP A 65 0.173 10.380 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 65 1.249 12.115 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.169 12.668 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.581 12.695 -6.732 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.924 11.317 -4.436 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.161 11.388 -3.671 1.00 0.00 C ATOM 1038 C PHE A 66 -2.907 10.955 -2.232 1.00 0.00 C ATOM 1039 O PHE A 66 -3.438 11.543 -1.289 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.235 10.506 -4.309 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.557 10.552 -3.597 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.731 9.897 -2.388 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.625 11.248 -4.138 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.947 9.935 -1.733 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.844 11.291 -3.486 1.00 0.00 C ATOM 1046 CZ PHE A 66 -8.004 10.633 -2.282 1.00 0.00 C ATOM 0 H PHE A 66 -1.945 10.662 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.516 12.418 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.379 10.816 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.880 9.476 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.907 9.351 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.505 11.763 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.070 9.419 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.669 11.838 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.955 10.665 -1.771 1.00 0.00 H new ATOM 1056 N ILE A 67 -2.075 9.929 -2.072 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.731 9.426 -0.751 1.00 0.00 C ATOM 1058 C ILE A 67 -0.984 10.495 0.041 1.00 0.00 C ATOM 1059 O ILE A 67 -1.344 10.810 1.176 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.868 8.147 -0.842 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.672 7.010 -1.474 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.362 7.735 0.535 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.651 7.020 -2.987 1.00 0.00 C ATOM 0 H ILE A 67 -1.628 9.432 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.660 9.175 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.005 8.361 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.278 6.057 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.705 7.074 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.243 6.833 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.244 8.538 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.210 7.540 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.242 6.185 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.073 7.957 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.623 6.925 -3.337 1.00 0.00 H new ATOM 1075 N LYS A 68 0.050 11.065 -0.573 1.00 0.00 N ATOM 1076 CA LYS A 68 0.831 12.111 0.074 1.00 0.00 C ATOM 1077 C LYS A 68 0.005 13.387 0.206 1.00 0.00 C ATOM 1078 O LYS A 68 0.232 14.197 1.104 1.00 0.00 O ATOM 1079 CB LYS A 68 2.113 12.388 -0.709 1.00 0.00 C ATOM 1080 CG LYS A 68 1.866 12.787 -2.143 1.00 0.00 C ATOM 1081 CD LYS A 68 1.684 14.291 -2.286 1.00 0.00 C ATOM 1082 CE LYS A 68 2.554 14.856 -3.399 1.00 0.00 C ATOM 1083 NZ LYS A 68 2.200 16.266 -3.718 1.00 0.00 N ATOM 0 H LYS A 68 0.364 10.821 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 68 1.104 11.767 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.670 13.181 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.741 11.497 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.703 12.462 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.978 12.276 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.637 14.514 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.934 14.780 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.602 14.803 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.443 14.243 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.809 16.317 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.491 16.608 -3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.052 16.860 -3.659 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.961 13.554 -0.696 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.831 14.723 -0.682 1.00 0.00 C ATOM 1099 C GLU A 69 -2.603 14.802 0.627 1.00 0.00 C ATOM 1100 O GLU A 69 -2.749 15.875 1.213 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.813 14.673 -1.853 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.555 15.979 -2.080 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.066 16.120 -3.501 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.643 15.144 -4.024 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -3.887 17.207 -4.090 1.00 0.00 O ATOM 0 H GLU A 69 -1.159 12.892 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.205 15.610 -0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.270 14.411 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.538 13.879 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.395 16.040 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.892 16.814 -1.852 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.099 13.656 1.079 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.864 13.587 2.319 1.00 0.00 C ATOM 1114 C ASN A 70 -3.180 12.679 3.338 1.00 0.00 C ATOM 1115 O ASN A 70 -3.809 12.220 4.291 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.282 13.079 2.039 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.835 13.590 0.721 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.704 14.461 0.696 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.332 13.047 -0.382 1.00 0.00 N ATOM 0 H ASN A 70 -2.985 12.760 0.605 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.918 14.592 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.278 11.989 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.942 13.388 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.665 13.350 -1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.612 12.327 -0.314 1.00 0.00 H new ATOM 1126 N SER A 71 -1.891 12.419 3.132 1.00 0.00 N ATOM 1127 CA SER A 71 -1.132 11.561 4.035 1.00 0.00 C ATOM 1128 C SER A 71 0.357 11.588 3.688 1.00 0.00 C ATOM 1129 O SER A 71 0.885 10.643 3.103 1.00 0.00 O ATOM 1130 CB SER A 71 -1.670 10.129 3.967 1.00 0.00 C ATOM 1131 OG SER A 71 -1.904 9.610 5.266 1.00 0.00 O ATOM 0 H SER A 71 -1.352 12.790 2.349 1.00 0.00 H new ATOM 0 HA SER A 71 -1.249 11.937 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.596 10.112 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.957 9.494 3.441 1.00 0.00 H new ATOM 0 HG SER A 71 -2.044 10.350 5.894 1.00 0.00 H new ATOM 1137 N PRO A 72 1.052 12.686 4.038 1.00 0.00 N ATOM 1138 CA PRO A 72 2.475 12.853 3.761 1.00 0.00 C ATOM 1139 C PRO A 72 3.370 12.244 4.837 1.00 0.00 C ATOM 1140 O PRO A 72 4.591 12.192 4.684 1.00 0.00 O ATOM 1141 CB PRO A 72 2.654 14.381 3.718 1.00 0.00 C ATOM 1142 CG PRO A 72 1.349 14.978 4.161 1.00 0.00 C ATOM 1143 CD PRO A 72 0.512 13.859 4.721 1.00 0.00 C ATOM 0 HA PRO A 72 2.764 12.344 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.466 14.695 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.910 14.713 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.515 15.748 4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.841 15.456 3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.612 13.780 5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.548 14.000 4.509 1.00 0.00 H new ATOM 1151 N ASP A 73 2.761 11.782 5.919 1.00 0.00 N ATOM 1152 CA ASP A 73 3.509 11.174 7.017 1.00 0.00 C ATOM 1153 C ASP A 73 3.480 9.651 6.931 1.00 0.00 C ATOM 1154 O ASP A 73 4.269 8.965 7.579 1.00 0.00 O ATOM 1155 CB ASP A 73 2.950 11.634 8.360 1.00 0.00 C ATOM 1156 CG ASP A 73 4.000 11.640 9.454 1.00 0.00 C ATOM 1157 OD1 ASP A 73 5.033 10.957 9.288 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.789 12.326 10.476 1.00 0.00 O ATOM 0 H ASP A 73 1.752 11.815 6.063 1.00 0.00 H new ATOM 0 HA ASP A 73 4.546 11.498 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.535 12.636 8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.129 10.979 8.652 1.00 0.00 H new ATOM 1163 N SER A 74 2.563 9.138 6.126 1.00 0.00 N ATOM 1164 CA SER A 74 2.409 7.702 5.939 1.00 0.00 C ATOM 1165 C SER A 74 3.565 7.132 5.115 1.00 0.00 C ATOM 1166 O SER A 74 4.655 7.703 5.085 1.00 0.00 O ATOM 1167 CB SER A 74 1.069 7.424 5.254 1.00 0.00 C ATOM 1168 OG SER A 74 0.330 8.619 5.073 1.00 0.00 O ATOM 0 H SER A 74 1.907 9.702 5.586 1.00 0.00 H new ATOM 0 HA SER A 74 2.425 7.212 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.243 6.950 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.490 6.722 5.854 1.00 0.00 H new ATOM 0 HG SER A 74 -0.565 8.512 5.458 1.00 0.00 H new ATOM 1174 N VAL A 75 3.314 6.019 4.427 1.00 0.00 N ATOM 1175 CA VAL A 75 4.331 5.405 3.587 1.00 0.00 C ATOM 1176 C VAL A 75 3.735 4.789 2.334 1.00 0.00 C ATOM 1177 O VAL A 75 2.725 4.094 2.383 1.00 0.00 O ATOM 1178 CB VAL A 75 5.138 4.324 4.316 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.223 3.801 3.380 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.738 4.874 5.599 1.00 0.00 C ATOM 0 H VAL A 75 2.419 5.529 4.437 1.00 0.00 H new ATOM 0 HA VAL A 75 5.001 6.221 3.317 1.00 0.00 H new ATOM 0 HB VAL A 75 4.479 3.501 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.803 3.031 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.761 3.377 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.882 4.621 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.306 4.090 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.399 5.708 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.939 5.219 6.255 1.00 0.00 H new ATOM 1190 N VAL A 76 4.370 5.069 1.211 1.00 0.00 N ATOM 1191 CA VAL A 76 3.915 4.565 -0.076 1.00 0.00 C ATOM 1192 C VAL A 76 4.802 3.423 -0.565 1.00 0.00 C ATOM 1193 O VAL A 76 5.876 3.653 -1.118 1.00 0.00 O ATOM 1194 CB VAL A 76 3.900 5.690 -1.129 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.464 5.161 -2.488 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.998 6.827 -0.677 1.00 0.00 C ATOM 0 H VAL A 76 5.209 5.647 1.162 1.00 0.00 H new ATOM 0 HA VAL A 76 2.901 4.189 0.061 1.00 0.00 H new ATOM 0 HB VAL A 76 4.915 6.074 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.462 5.976 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.156 4.386 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.461 4.742 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.998 7.614 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.983 6.454 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.365 7.230 0.267 1.00 0.00 H new ATOM 1206 N ILE A 77 4.343 2.193 -0.361 1.00 0.00 N ATOM 1207 CA ILE A 77 5.098 1.019 -0.785 1.00 0.00 C ATOM 1208 C ILE A 77 4.721 0.606 -2.205 1.00 0.00 C ATOM 1209 O ILE A 77 5.583 0.514 -3.079 1.00 0.00 O ATOM 1210 CB ILE A 77 4.876 -0.168 0.173 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.217 0.241 1.607 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.718 -1.365 -0.253 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.662 0.659 1.791 1.00 0.00 C ATOM 0 H ILE A 77 3.455 1.983 0.094 1.00 0.00 H new ATOM 0 HA ILE A 77 6.153 1.293 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 77 3.826 -0.456 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.568 1.065 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.001 -0.593 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.548 -2.193 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.436 -1.668 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.773 -1.092 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.831 0.935 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.317 -0.170 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.878 1.513 1.149 1.00 0.00 H new ATOM 1225 N VAL A 78 3.433 0.355 -2.434 1.00 0.00 N ATOM 1226 CA VAL A 78 2.962 -0.050 -3.756 1.00 0.00 C ATOM 1227 C VAL A 78 3.816 -1.191 -4.301 1.00 0.00 C ATOM 1228 O VAL A 78 4.783 -0.962 -5.029 1.00 0.00 O ATOM 1229 CB VAL A 78 2.999 1.131 -4.750 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.419 0.720 -6.096 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.248 2.327 -4.182 1.00 0.00 C ATOM 0 H VAL A 78 2.702 0.424 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 78 1.931 -0.385 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 78 4.039 1.419 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.455 1.567 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.002 -0.104 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.384 0.403 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.284 3.151 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.210 2.051 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.712 2.637 -3.246 1.00 0.00 H new ATOM 1241 N ILE A 79 3.465 -2.418 -3.933 1.00 0.00 N ATOM 1242 CA ILE A 79 4.217 -3.584 -4.379 1.00 0.00 C ATOM 1243 C ILE A 79 3.584 -4.229 -5.601 1.00 0.00 C ATOM 1244 O ILE A 79 2.361 -4.297 -5.721 1.00 0.00 O ATOM 1245 CB ILE A 79 4.350 -4.649 -3.278 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.385 -4.002 -1.895 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.603 -5.475 -3.517 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.377 -5.001 -0.759 1.00 0.00 C ATOM 0 H ILE A 79 2.670 -2.630 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 79 5.209 -3.212 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 79 3.480 -5.304 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.278 -3.381 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.526 -3.339 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.696 -6.229 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.536 -5.965 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.477 -4.824 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.403 -4.470 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.472 -5.606 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.251 -5.648 -0.837 1.00 0.00 H new ATOM 1260 N THR A 80 4.439 -4.713 -6.498 1.00 0.00 N ATOM 1261 CA THR A 80 4.004 -5.376 -7.731 1.00 0.00 C ATOM 1262 C THR A 80 5.148 -5.434 -8.737 1.00 0.00 C ATOM 1263 O THR A 80 6.274 -5.034 -8.436 1.00 0.00 O ATOM 1264 CB THR A 80 2.794 -4.670 -8.363 1.00 0.00 C ATOM 1265 OG1 THR A 80 2.685 -3.325 -7.915 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.486 -5.381 -8.076 1.00 0.00 C ATOM 0 H THR A 80 5.452 -4.658 -6.394 1.00 0.00 H new ATOM 0 HA THR A 80 3.703 -6.389 -7.464 1.00 0.00 H new ATOM 0 HB THR A 80 2.973 -4.691 -9.438 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.156 -3.297 -7.091 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.666 -4.838 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.527 -6.394 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.323 -5.422 -6.999 1.00 0.00 H new ATOM 1317 N VAL A 85 10.407 -4.461 -12.812 1.00 0.00 N ATOM 1318 CA VAL A 85 10.264 -3.419 -11.803 1.00 0.00 C ATOM 1319 C VAL A 85 10.312 -2.031 -12.433 1.00 0.00 C ATOM 1320 O VAL A 85 10.935 -1.114 -11.896 1.00 0.00 O ATOM 1321 CB VAL A 85 11.365 -3.524 -10.730 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.084 -2.572 -9.579 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.489 -4.956 -10.229 1.00 0.00 C ATOM 0 HA VAL A 85 9.292 -3.565 -11.332 1.00 0.00 H new ATOM 0 HB VAL A 85 12.314 -3.238 -11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.873 -2.661 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.052 -1.549 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.125 -2.822 -9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.271 -5.010 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.541 -5.273 -9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.744 -5.612 -11.061 1.00 0.00 H new ATOM 1333 N ASP A 86 9.648 -1.882 -13.575 1.00 0.00 N ATOM 1334 CA ASP A 86 9.614 -0.604 -14.276 1.00 0.00 C ATOM 1335 C ASP A 86 8.554 0.316 -13.681 1.00 0.00 C ATOM 1336 O ASP A 86 8.674 1.539 -13.749 1.00 0.00 O ATOM 1337 CB ASP A 86 9.344 -0.821 -15.767 1.00 0.00 C ATOM 1338 CG ASP A 86 8.131 -1.696 -16.017 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.365 -1.937 -15.061 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.948 -2.140 -17.170 1.00 0.00 O ATOM 0 H ASP A 86 9.127 -2.629 -14.034 1.00 0.00 H new ATOM 0 HA ASP A 86 10.587 -0.128 -14.158 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.197 0.145 -16.250 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.219 -1.279 -16.228 1.00 0.00 H new ATOM 1345 N THR A 87 7.520 -0.275 -13.086 1.00 0.00 N ATOM 1346 CA THR A 87 6.454 0.507 -12.471 1.00 0.00 C ATOM 1347 C THR A 87 6.962 1.166 -11.197 1.00 0.00 C ATOM 1348 O THR A 87 6.576 2.287 -10.865 1.00 0.00 O ATOM 1349 CB THR A 87 5.237 -0.376 -12.170 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.079 0.417 -11.985 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.399 -1.242 -10.936 1.00 0.00 C ATOM 0 H THR A 87 7.399 -1.286 -13.018 1.00 0.00 H new ATOM 0 HA THR A 87 6.144 1.283 -13.170 1.00 0.00 H new ATOM 0 HB THR A 87 5.141 -1.030 -13.037 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.312 -0.163 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.498 -1.837 -10.789 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.255 -1.905 -11.066 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.561 -0.607 -10.065 1.00 0.00 H new ATOM 1359 N ALA A 88 7.845 0.464 -10.495 1.00 0.00 N ATOM 1360 CA ALA A 88 8.427 0.978 -9.265 1.00 0.00 C ATOM 1361 C ALA A 88 9.101 2.316 -9.526 1.00 0.00 C ATOM 1362 O ALA A 88 8.746 3.334 -8.933 1.00 0.00 O ATOM 1363 CB ALA A 88 9.432 -0.015 -8.705 1.00 0.00 C ATOM 0 H ALA A 88 8.173 -0.465 -10.760 1.00 0.00 H new ATOM 0 HA ALA A 88 7.632 1.121 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.861 0.381 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.931 -0.960 -8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.226 -0.179 -9.434 1.00 0.00 H new ATOM 1369 N VAL A 89 10.068 2.301 -10.433 1.00 0.00 N ATOM 1370 CA VAL A 89 10.796 3.505 -10.800 1.00 0.00 C ATOM 1371 C VAL A 89 9.837 4.607 -11.248 1.00 0.00 C ATOM 1372 O VAL A 89 10.156 5.794 -11.161 1.00 0.00 O ATOM 1373 CB VAL A 89 11.805 3.221 -11.930 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.852 2.218 -11.471 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.088 2.717 -13.174 1.00 0.00 C ATOM 0 H VAL A 89 10.367 1.462 -10.930 1.00 0.00 H new ATOM 0 HA VAL A 89 11.338 3.838 -9.915 1.00 0.00 H new ATOM 0 HB VAL A 89 12.311 4.153 -12.181 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.556 2.030 -12.282 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.388 2.620 -10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.364 1.285 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.817 2.522 -13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.554 1.797 -12.938 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.379 3.471 -13.516 1.00 0.00 H new ATOM 1385 N LYS A 90 8.660 4.205 -11.723 1.00 0.00 N ATOM 1386 CA LYS A 90 7.653 5.155 -12.180 1.00 0.00 C ATOM 1387 C LYS A 90 6.786 5.646 -11.019 1.00 0.00 C ATOM 1388 O LYS A 90 5.796 6.347 -11.229 1.00 0.00 O ATOM 1389 CB LYS A 90 6.772 4.509 -13.250 1.00 0.00 C ATOM 1390 CG LYS A 90 5.711 5.439 -13.813 1.00 0.00 C ATOM 1391 CD LYS A 90 5.144 4.908 -15.120 1.00 0.00 C ATOM 1392 CE LYS A 90 6.094 5.158 -16.281 1.00 0.00 C ATOM 1393 NZ LYS A 90 5.367 5.555 -17.518 1.00 0.00 N ATOM 0 H LYS A 90 8.382 3.227 -11.801 1.00 0.00 H new ATOM 0 HA LYS A 90 8.169 6.015 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.405 4.159 -14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.285 3.632 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.906 5.557 -13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.141 6.427 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.954 3.839 -15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.186 5.386 -15.323 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.802 5.941 -16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.675 4.257 -16.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.050 5.716 -18.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.710 4.797 -17.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.833 6.429 -17.341 1.00 0.00 H new ATOM 1407 N ALA A 91 7.158 5.277 -9.795 1.00 0.00 N ATOM 1408 CA ALA A 91 6.405 5.683 -8.616 1.00 0.00 C ATOM 1409 C ALA A 91 7.326 6.174 -7.502 1.00 0.00 C ATOM 1410 O ALA A 91 7.030 7.162 -6.832 1.00 0.00 O ATOM 1411 CB ALA A 91 5.542 4.533 -8.120 1.00 0.00 C ATOM 0 H ALA A 91 7.975 4.699 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 91 5.761 6.514 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.985 4.850 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.844 4.237 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.178 3.686 -7.862 1.00 0.00 H new ATOM 1417 N ILE A 92 8.444 5.478 -7.304 1.00 0.00 N ATOM 1418 CA ILE A 92 9.396 5.855 -6.264 1.00 0.00 C ATOM 1419 C ILE A 92 10.025 7.215 -6.554 1.00 0.00 C ATOM 1420 O ILE A 92 10.572 7.859 -5.658 1.00 0.00 O ATOM 1421 CB ILE A 92 10.506 4.793 -6.086 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.522 4.857 -7.230 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.898 3.402 -5.996 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.645 3.852 -7.093 1.00 0.00 C ATOM 0 H ILE A 92 8.711 4.656 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 92 8.832 5.919 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 92 11.032 5.009 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.006 4.687 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.946 5.860 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.692 2.665 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.222 3.355 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.344 3.187 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.328 3.952 -7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.186 4.035 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.231 2.844 -7.079 1.00 0.00 H new ATOM 1436 N LYS A 93 9.936 7.653 -7.807 1.00 0.00 N ATOM 1437 CA LYS A 93 10.486 8.942 -8.204 1.00 0.00 C ATOM 1438 C LYS A 93 9.413 10.026 -8.154 1.00 0.00 C ATOM 1439 O LYS A 93 9.534 11.064 -8.805 1.00 0.00 O ATOM 1440 CB LYS A 93 11.078 8.858 -9.612 1.00 0.00 C ATOM 1441 CG LYS A 93 12.468 8.243 -9.655 1.00 0.00 C ATOM 1442 CD LYS A 93 13.465 9.158 -10.350 1.00 0.00 C ATOM 1443 CE LYS A 93 14.356 8.384 -11.309 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.916 9.261 -12.374 1.00 0.00 N ATOM 0 H LYS A 93 9.489 7.134 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 93 11.278 9.204 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.411 8.270 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.120 9.860 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.808 8.039 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.427 7.286 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.929 9.934 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.081 9.660 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.172 7.921 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.783 7.577 -11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.518 8.697 -13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.138 9.683 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.484 10.016 -11.939 1.00 0.00 H new ATOM 1458 N LYS A 94 8.362 9.778 -7.376 1.00 0.00 N ATOM 1459 CA LYS A 94 7.269 10.731 -7.238 1.00 0.00 C ATOM 1460 C LYS A 94 6.815 10.826 -5.787 1.00 0.00 C ATOM 1461 O LYS A 94 6.723 11.919 -5.227 1.00 0.00 O ATOM 1462 CB LYS A 94 6.095 10.324 -8.129 1.00 0.00 C ATOM 1463 CG LYS A 94 6.433 10.300 -9.610 1.00 0.00 C ATOM 1464 CD LYS A 94 6.808 11.684 -10.119 1.00 0.00 C ATOM 1465 CE LYS A 94 5.624 12.638 -10.072 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.972 13.920 -9.400 1.00 0.00 N ATOM 0 H LYS A 94 8.246 8.923 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 94 7.629 11.711 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.748 9.336 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.269 11.016 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.259 9.611 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.579 9.923 -10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.623 12.085 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.175 11.609 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.281 12.841 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.796 12.164 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.139 14.543 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.276 13.729 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.745 14.385 -9.918 1.00 0.00 H new ATOM 1480 N GLY A 95 6.529 9.676 -5.179 1.00 0.00 N ATOM 1481 CA GLY A 95 6.087 9.671 -3.795 1.00 0.00 C ATOM 1482 C GLY A 95 6.090 8.290 -3.154 1.00 0.00 C ATOM 1483 O GLY A 95 5.498 8.104 -2.091 1.00 0.00 O ATOM 0 H GLY A 95 6.595 8.756 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.731 10.332 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.079 10.083 -3.744 1.00 0.00 H new ATOM 1487 N ALA A 96 6.760 7.323 -3.776 1.00 0.00 N ATOM 1488 CA ALA A 96 6.824 5.976 -3.219 1.00 0.00 C ATOM 1489 C ALA A 96 8.016 5.842 -2.281 1.00 0.00 C ATOM 1490 O ALA A 96 8.814 6.768 -2.141 1.00 0.00 O ATOM 1491 CB ALA A 96 6.883 4.926 -4.319 1.00 0.00 C ATOM 0 H ALA A 96 7.261 7.445 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 96 5.912 5.806 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.930 3.933 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.992 5.002 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.769 5.090 -4.932 1.00 0.00 H new ATOM 1497 N TYR A 97 8.126 4.691 -1.631 1.00 0.00 N ATOM 1498 CA TYR A 97 9.216 4.448 -0.695 1.00 0.00 C ATOM 1499 C TYR A 97 10.384 3.726 -1.366 1.00 0.00 C ATOM 1500 O TYR A 97 11.487 3.694 -0.823 1.00 0.00 O ATOM 1501 CB TYR A 97 8.698 3.655 0.513 1.00 0.00 C ATOM 1502 CG TYR A 97 9.783 3.138 1.432 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.374 3.967 2.375 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.208 1.818 1.358 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.360 3.495 3.220 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.193 1.339 2.198 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.767 2.181 3.128 1.00 0.00 C ATOM 1508 OH TYR A 97 12.747 1.706 3.967 1.00 0.00 O ATOM 0 H TYR A 97 7.475 3.912 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 97 9.592 5.411 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.024 4.290 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.110 2.810 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.058 4.997 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.761 1.156 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.810 4.152 3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.513 0.310 2.128 1.00 0.00 H new ATOM 0 HH TYR A 97 12.915 0.760 3.772 1.00 0.00 H new ATOM 1518 N GLU A 98 10.127 3.167 -2.554 1.00 0.00 N ATOM 1519 CA GLU A 98 11.137 2.445 -3.350 1.00 0.00 C ATOM 1520 C GLU A 98 10.522 1.240 -4.059 1.00 0.00 C ATOM 1521 O GLU A 98 11.139 0.658 -4.952 1.00 0.00 O ATOM 1522 CB GLU A 98 12.324 1.968 -2.502 1.00 0.00 C ATOM 1523 CG GLU A 98 11.930 1.069 -1.341 1.00 0.00 C ATOM 1524 CD GLU A 98 12.937 1.109 -0.207 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.279 2.222 0.244 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.382 0.026 0.228 1.00 0.00 O ATOM 0 H GLU A 98 9.208 3.201 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 98 11.505 3.160 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.023 1.431 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.852 2.838 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.953 1.373 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.830 0.044 -1.697 1.00 0.00 H new ATOM 1533 N PHE A 99 9.310 0.861 -3.658 1.00 0.00 N ATOM 1534 CA PHE A 99 8.627 -0.281 -4.258 1.00 0.00 C ATOM 1535 C PHE A 99 9.257 -1.588 -3.789 1.00 0.00 C ATOM 1536 O PHE A 99 10.477 -1.746 -3.813 1.00 0.00 O ATOM 1537 CB PHE A 99 8.676 -0.197 -5.787 1.00 0.00 C ATOM 1538 CG PHE A 99 7.322 -0.210 -6.438 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.518 0.919 -6.416 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.857 -1.347 -7.080 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.276 0.913 -7.022 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.616 -1.360 -7.686 1.00 0.00 C ATOM 1543 CZ PHE A 99 4.825 -0.228 -7.658 1.00 0.00 C ATOM 0 H PHE A 99 8.782 1.328 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 99 7.585 -0.258 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.199 0.715 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.261 -1.034 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.866 1.813 -5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.473 -2.234 -7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.659 1.799 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.265 -2.253 -8.181 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.855 -0.235 -8.133 1.00 0.00 H new ATOM 1553 N LEU A 100 8.415 -2.520 -3.360 1.00 0.00 N ATOM 1554 CA LEU A 100 8.884 -3.812 -2.882 1.00 0.00 C ATOM 1555 C LEU A 100 8.926 -4.831 -4.018 1.00 0.00 C ATOM 1556 O LEU A 100 8.206 -4.700 -5.008 1.00 0.00 O ATOM 1557 CB LEU A 100 7.968 -4.314 -1.761 1.00 0.00 C ATOM 1558 CG LEU A 100 8.634 -4.534 -0.401 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.981 -5.224 -0.552 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.784 -3.214 0.339 1.00 0.00 C ATOM 0 H LEU A 100 7.402 -2.404 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 100 9.896 -3.690 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.156 -3.598 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.518 -5.254 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 100 7.990 -5.188 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.429 -5.366 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.842 -6.193 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.639 -4.608 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.259 -3.390 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.400 -2.534 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.801 -2.770 0.495 1.00 0.00 H new ATOM 1572 N GLU A 101 9.769 -5.847 -3.866 1.00 0.00 N ATOM 1573 CA GLU A 101 9.898 -6.891 -4.876 1.00 0.00 C ATOM 1574 C GLU A 101 8.956 -8.050 -4.570 1.00 0.00 C ATOM 1575 O GLU A 101 8.307 -8.074 -3.524 1.00 0.00 O ATOM 1576 CB GLU A 101 11.341 -7.393 -4.941 1.00 0.00 C ATOM 1577 CG GLU A 101 12.376 -6.280 -4.929 1.00 0.00 C ATOM 1578 CD GLU A 101 13.797 -6.805 -4.901 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.996 -7.956 -4.457 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.712 -6.066 -5.321 1.00 0.00 O ATOM 0 H GLU A 101 10.373 -5.970 -3.053 1.00 0.00 H new ATOM 0 HA GLU A 101 9.628 -6.467 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.524 -8.056 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.469 -7.987 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.241 -5.654 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.210 -5.644 -4.059 1.00 0.00 H new ATOM 1654 N VAL A 106 4.942 -11.190 0.162 1.00 0.00 N ATOM 1655 CA VAL A 106 5.319 -9.946 0.827 1.00 0.00 C ATOM 1656 C VAL A 106 6.207 -10.206 2.045 1.00 0.00 C ATOM 1657 O VAL A 106 6.537 -9.282 2.784 1.00 0.00 O ATOM 1658 CB VAL A 106 4.075 -9.154 1.270 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.293 -8.665 0.061 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.199 -10.002 2.174 1.00 0.00 C ATOM 0 HA VAL A 106 5.880 -9.359 0.100 1.00 0.00 H new ATOM 0 HB VAL A 106 4.404 -8.282 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.418 -8.108 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.927 -8.017 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.973 -9.519 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.325 -9.426 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.878 -10.894 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.765 -10.295 3.058 1.00 0.00 H new ATOM 1670 N GLU A 107 6.579 -11.470 2.263 1.00 0.00 N ATOM 1671 CA GLU A 107 7.419 -11.845 3.400 1.00 0.00 C ATOM 1672 C GLU A 107 8.498 -10.796 3.674 1.00 0.00 C ATOM 1673 O GLU A 107 8.724 -10.410 4.822 1.00 0.00 O ATOM 1674 CB GLU A 107 8.069 -13.202 3.147 1.00 0.00 C ATOM 1675 CG GLU A 107 8.595 -13.866 4.406 1.00 0.00 C ATOM 1676 CD GLU A 107 9.854 -14.673 4.156 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.789 -15.647 3.378 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.904 -14.332 4.741 1.00 0.00 O ATOM 0 H GLU A 107 6.310 -12.251 1.665 1.00 0.00 H new ATOM 0 HA GLU A 107 6.778 -11.906 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.341 -13.862 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.891 -13.077 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.800 -13.103 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.825 -14.519 4.817 1.00 0.00 H new ATOM 1685 N ARG A 108 9.152 -10.329 2.615 1.00 0.00 N ATOM 1686 CA ARG A 108 10.194 -9.316 2.746 1.00 0.00 C ATOM 1687 C ARG A 108 9.570 -7.956 3.037 1.00 0.00 C ATOM 1688 O ARG A 108 10.112 -7.158 3.802 1.00 0.00 O ATOM 1689 CB ARG A 108 11.036 -9.245 1.470 1.00 0.00 C ATOM 1690 CG ARG A 108 12.466 -8.789 1.710 1.00 0.00 C ATOM 1691 CD ARG A 108 13.437 -9.961 1.702 1.00 0.00 C ATOM 1692 NE ARG A 108 14.354 -9.903 0.567 1.00 0.00 N ATOM 1693 CZ ARG A 108 15.416 -10.693 0.431 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.699 -11.602 1.357 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.199 -10.575 -0.632 1.00 0.00 N ATOM 0 H ARG A 108 8.979 -10.635 1.658 1.00 0.00 H new ATOM 0 HA ARG A 108 10.844 -9.593 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.051 -10.228 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.559 -8.562 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.754 -8.072 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.528 -8.271 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.009 -9.965 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.877 -10.896 1.669 1.00 0.00 H new ATOM 0 HE ARG A 108 14.170 -9.217 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.101 -11.697 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.514 -12.205 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.988 -9.878 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.013 -11.181 -0.736 1.00 0.00 H new ATOM 1709 N PHE A 109 8.415 -7.712 2.427 1.00 0.00 N ATOM 1710 CA PHE A 109 7.684 -6.463 2.614 1.00 0.00 C ATOM 1711 C PHE A 109 7.420 -6.208 4.100 1.00 0.00 C ATOM 1712 O PHE A 109 7.231 -5.066 4.520 1.00 0.00 O ATOM 1713 CB PHE A 109 6.363 -6.522 1.828 1.00 0.00 C ATOM 1714 CG PHE A 109 5.237 -5.725 2.430 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.050 -4.396 2.086 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.367 -6.307 3.339 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.016 -3.662 2.636 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.331 -5.578 3.892 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.156 -4.254 3.540 1.00 0.00 C ATOM 0 H PHE A 109 7.961 -8.370 1.793 1.00 0.00 H new ATOM 0 HA PHE A 109 8.286 -5.636 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.543 -6.163 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.050 -7.563 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.720 -3.928 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.500 -7.342 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.881 -2.627 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.659 -6.043 4.598 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.348 -3.682 3.971 1.00 0.00 H new ATOM 1729 N LEU A 110 7.408 -7.281 4.888 1.00 0.00 N ATOM 1730 CA LEU A 110 7.165 -7.181 6.322 1.00 0.00 C ATOM 1731 C LEU A 110 8.287 -6.427 7.028 1.00 0.00 C ATOM 1732 O LEU A 110 8.037 -5.576 7.880 1.00 0.00 O ATOM 1733 CB LEU A 110 7.021 -8.573 6.927 1.00 0.00 C ATOM 1734 CG LEU A 110 5.856 -8.736 7.903 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.510 -10.206 8.073 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.192 -8.103 9.245 1.00 0.00 C ATOM 0 H LEU A 110 7.565 -8.232 4.554 1.00 0.00 H new ATOM 0 HA LEU A 110 6.240 -6.623 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.901 -9.294 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.947 -8.825 7.444 1.00 0.00 H new ATOM 0 HG LEU A 110 4.985 -8.224 7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.679 -10.306 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.227 -10.627 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.376 -10.741 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.351 -8.229 9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.075 -8.586 9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.391 -7.040 9.106 1.00 0.00 H new ATOM 1748 N LEU A 111 9.525 -6.754 6.673 1.00 0.00 N ATOM 1749 CA LEU A 111 10.688 -6.114 7.277 1.00 0.00 C ATOM 1750 C LEU A 111 10.611 -4.596 7.140 1.00 0.00 C ATOM 1751 O LEU A 111 10.678 -3.869 8.133 1.00 0.00 O ATOM 1752 CB LEU A 111 11.972 -6.632 6.632 1.00 0.00 C ATOM 1753 CG LEU A 111 12.354 -8.066 7.010 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.511 -9.066 6.234 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.835 -8.305 6.755 1.00 0.00 C ATOM 0 H LEU A 111 9.749 -7.458 5.970 1.00 0.00 H new ATOM 0 HA LEU A 111 10.696 -6.362 8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.865 -6.574 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.792 -5.969 6.908 1.00 0.00 H new ATOM 0 HG LEU A 111 12.159 -8.206 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.797 -10.079 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.457 -8.909 6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.674 -8.927 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.091 -9.329 7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.053 -8.147 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.424 -7.611 7.355 1.00 0.00 H new ATOM 1767 N THR A 112 10.474 -4.126 5.907 1.00 0.00 N ATOM 1768 CA THR A 112 10.391 -2.695 5.639 1.00 0.00 C ATOM 1769 C THR A 112 9.183 -2.072 6.335 1.00 0.00 C ATOM 1770 O THR A 112 9.258 -0.956 6.847 1.00 0.00 O ATOM 1771 CB THR A 112 10.309 -2.447 4.131 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.465 -2.944 3.478 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.174 -0.983 3.769 1.00 0.00 C ATOM 0 H THR A 112 10.418 -4.715 5.076 1.00 0.00 H new ATOM 0 HA THR A 112 11.291 -2.225 6.034 1.00 0.00 H new ATOM 0 HB THR A 112 9.411 -2.970 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.394 -2.778 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 112 10.121 -0.880 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.266 -0.580 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.038 -0.434 4.144 1.00 0.00 H new ATOM 1781 N ILE A 113 8.070 -2.800 6.342 1.00 0.00 N ATOM 1782 CA ILE A 113 6.838 -2.320 6.966 1.00 0.00 C ATOM 1783 C ILE A 113 7.099 -1.720 8.346 1.00 0.00 C ATOM 1784 O ILE A 113 6.710 -0.584 8.618 1.00 0.00 O ATOM 1785 CB ILE A 113 5.792 -3.455 7.079 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.916 -3.492 5.827 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.931 -3.293 8.328 1.00 0.00 C ATOM 1788 CD1 ILE A 113 4.114 -2.226 5.613 1.00 0.00 C ATOM 0 H ILE A 113 7.995 -3.726 5.922 1.00 0.00 H new ATOM 0 HA ILE A 113 6.442 -1.536 6.321 1.00 0.00 H new ATOM 0 HB ILE A 113 6.327 -4.401 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.548 -3.664 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.232 -4.338 5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.206 -4.106 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.566 -3.318 9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.404 -2.340 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.516 -2.323 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.456 -2.064 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.792 -1.379 5.511 1.00 0.00 H new ATOM 1800 N LYS A 114 7.760 -2.480 9.213 1.00 0.00 N ATOM 1801 CA LYS A 114 8.067 -2.006 10.555 1.00 0.00 C ATOM 1802 C LYS A 114 8.694 -0.625 10.477 1.00 0.00 C ATOM 1803 O LYS A 114 8.148 0.351 10.991 1.00 0.00 O ATOM 1804 CB LYS A 114 9.010 -2.976 11.263 1.00 0.00 C ATOM 1805 CG LYS A 114 8.894 -2.945 12.779 1.00 0.00 C ATOM 1806 CD LYS A 114 9.610 -1.741 13.371 1.00 0.00 C ATOM 1807 CE LYS A 114 11.117 -1.846 13.199 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.654 -3.117 13.758 1.00 0.00 N ATOM 0 H LYS A 114 8.092 -3.423 9.010 1.00 0.00 H new ATOM 0 HA LYS A 114 7.143 -1.948 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.806 -3.988 10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 114 10.037 -2.742 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.842 -2.920 13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.315 -3.860 13.195 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.251 -0.831 12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.369 -1.658 14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.367 -1.782 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.598 -1.001 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.683 -3.033 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.205 -3.309 14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.450 -3.898 13.103 1.00 0.00 H new ATOM 1822 N HIS A 115 9.842 -0.555 9.822 1.00 0.00 N ATOM 1823 CA HIS A 115 10.554 0.704 9.659 1.00 0.00 C ATOM 1824 C HIS A 115 9.667 1.749 8.985 1.00 0.00 C ATOM 1825 O HIS A 115 9.844 2.950 9.188 1.00 0.00 O ATOM 1826 CB HIS A 115 11.826 0.495 8.841 1.00 0.00 C ATOM 1827 CG HIS A 115 12.800 1.628 8.949 1.00 0.00 C ATOM 1828 ND1 HIS A 115 14.032 1.505 9.557 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.717 2.910 8.523 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.664 2.664 9.501 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.889 3.532 8.877 1.00 0.00 N ATOM 0 H HIS A 115 10.302 -1.358 9.393 1.00 0.00 H new ATOM 0 HA HIS A 115 10.825 1.068 10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.312 -0.424 9.169 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.556 0.357 7.794 1.00 0.00 H new ATOM 0 HD2 HIS A 115 11.885 3.360 8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.648 2.867 9.898 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.123 4.507 8.688 1.00 0.00 H new ATOM 1840 N ALA A 116 8.711 1.284 8.181 1.00 0.00 N ATOM 1841 CA ALA A 116 7.800 2.184 7.485 1.00 0.00 C ATOM 1842 C ALA A 116 6.929 2.950 8.475 1.00 0.00 C ATOM 1843 O ALA A 116 6.701 4.149 8.320 1.00 0.00 O ATOM 1844 CB ALA A 116 6.934 1.405 6.507 1.00 0.00 C ATOM 0 H ALA A 116 8.550 0.294 7.998 1.00 0.00 H new ATOM 0 HA ALA A 116 8.395 2.908 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.258 2.090 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.570 0.906 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.352 0.660 7.050 1.00 0.00 H new ATOM 1850 N PHE A 117 6.446 2.246 9.493 1.00 0.00 N ATOM 1851 CA PHE A 117 5.599 2.852 10.512 1.00 0.00 C ATOM 1852 C PHE A 117 6.391 3.821 11.386 1.00 0.00 C ATOM 1853 O PHE A 117 5.820 4.715 12.011 1.00 0.00 O ATOM 1854 CB PHE A 117 4.965 1.765 11.381 1.00 0.00 C ATOM 1855 CG PHE A 117 3.699 1.208 10.803 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.734 0.338 9.725 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.469 1.556 11.337 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.568 -0.171 9.191 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.300 1.050 10.809 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.348 0.186 9.734 1.00 0.00 C ATOM 0 H PHE A 117 6.628 1.252 9.634 1.00 0.00 H new ATOM 0 HA PHE A 117 4.814 3.415 10.007 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.681 0.955 11.518 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.756 2.175 12.369 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.685 0.055 9.298 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.425 2.232 12.178 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.608 -0.847 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.348 1.329 11.236 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.434 -0.211 9.318 1.00 0.00 H new ATOM 1870 N GLU A 118 7.708 3.640 11.430 1.00 0.00 N ATOM 1871 CA GLU A 118 8.573 4.500 12.232 1.00 0.00 C ATOM 1872 C GLU A 118 8.372 5.972 11.876 1.00 0.00 C ATOM 1873 O GLU A 118 8.647 6.857 12.686 1.00 0.00 O ATOM 1874 CB GLU A 118 10.039 4.113 12.035 1.00 0.00 C ATOM 1875 CG GLU A 118 10.356 2.691 12.465 1.00 0.00 C ATOM 1876 CD GLU A 118 10.372 2.529 13.973 1.00 0.00 C ATOM 1877 OE1 GLU A 118 9.290 2.621 14.591 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.465 2.308 14.536 1.00 0.00 O ATOM 0 H GLU A 118 8.199 2.906 10.920 1.00 0.00 H new ATOM 0 HA GLU A 118 8.303 4.361 13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.299 4.232 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.667 4.803 12.599 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.617 2.013 12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.326 2.401 12.062 1.00 0.00 H new