USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot -149:sc= 0.693 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0.557 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -4.35! C(o=-4.5!,f=-5.7!) USER MOD Set 2.2: A 100 MET CE :methyl -173:sc= 0 (180deg=-0.0671) USER MOD Set 2.3: A 112 MET CE :methyl -113:sc= -0.0966 (180deg=-0.369) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.36 K(o=-0.53,f=-4.4!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 156:sc= 0.833 (180deg=0.478) USER MOD Set 4.1: A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.741 F(o=-2!,f=-0.74) USER MOD Single : A 27 SER OG : rot 8:sc= 0.348 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0326) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc=-0.00574 (180deg=-0.0264) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.617 USER MOD Single : A 56 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -1.01 (180deg=-3.39!) USER MOD Single : A 65 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 176:sc= -0.462 (180deg=-0.629) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.293 F(o=-0.84,f=-0.29) USER MOD Single : A 77 THR OG1 : rot -170:sc= -0.67 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.788 K(o=0.79,f=-0.35) USER MOD Single : A 84 MET CE :methyl -160:sc= -0.237 (180deg=-1) USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0.174 (180deg=0.169) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00717) USER MOD Single : A 90 SER OG : rot 97:sc= 1.26 USER MOD Single : A 101 THR OG1 : rot -62:sc= 0.918 USER MOD Single : A 107 MET CE :methyl 171:sc= -0.041 (180deg=-0.208) USER MOD Single : A 113 THR OG1 : rot -130:sc= -0.0078 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -10.759 -0.844 2.036 1.00 0.00 N ATOM 72 CA GLU A 5 -9.918 -0.827 3.245 1.00 0.00 C ATOM 73 C GLU A 5 -9.147 0.496 3.369 1.00 0.00 C ATOM 74 O GLU A 5 -8.467 0.719 4.356 1.00 0.00 O ATOM 75 CB GLU A 5 -8.927 -2.030 3.258 1.00 0.00 C ATOM 76 CG GLU A 5 -9.575 -3.438 3.262 1.00 0.00 C ATOM 77 CD GLU A 5 -10.332 -3.804 1.965 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.671 -4.083 0.949 1.00 0.00 O ATOM 79 OE2 GLU A 5 -11.586 -3.785 1.942 1.00 0.00 O ATOM 0 HA GLU A 5 -10.583 -0.918 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.279 -1.952 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.289 -1.942 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.796 -4.181 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.268 -3.502 4.101 1.00 0.00 H new ATOM 86 N LYS A 6 -9.238 1.323 2.312 1.00 0.00 N ATOM 87 CA LYS A 6 -8.737 2.720 2.328 1.00 0.00 C ATOM 88 C LYS A 6 -9.317 3.505 3.540 1.00 0.00 C ATOM 89 O LYS A 6 -8.647 4.380 4.110 1.00 0.00 O ATOM 90 CB LYS A 6 -9.101 3.467 1.007 1.00 0.00 C ATOM 91 CG LYS A 6 -8.387 2.982 -0.284 1.00 0.00 C ATOM 92 CD LYS A 6 -8.872 1.608 -0.800 1.00 0.00 C ATOM 93 CE LYS A 6 -8.140 1.169 -2.080 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.617 -0.150 -2.567 1.00 0.00 N ATOM 0 H LYS A 6 -9.658 1.049 1.424 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.652 2.672 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.177 3.383 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.880 4.526 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.535 3.725 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.315 2.928 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.722 0.858 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.943 1.654 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.288 1.918 -2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.069 1.118 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.099 -0.409 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.453 -0.870 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.634 -0.095 -2.777 1.00 0.00 H new ATOM 108 N ASN A 7 -10.564 3.147 3.922 1.00 0.00 N ATOM 109 CA ASN A 7 -11.253 3.754 5.082 1.00 0.00 C ATOM 110 C ASN A 7 -10.612 3.265 6.398 1.00 0.00 C ATOM 111 O ASN A 7 -10.465 4.032 7.357 1.00 0.00 O ATOM 112 CB ASN A 7 -12.762 3.401 5.054 1.00 0.00 C ATOM 113 CG ASN A 7 -13.507 4.013 3.862 1.00 0.00 C ATOM 114 OD1 ASN A 7 -13.936 5.164 3.917 1.00 0.00 O ATOM 115 ND2 ASN A 7 -13.695 3.255 2.793 1.00 0.00 N ATOM 0 H ASN A 7 -11.115 2.437 3.440 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.148 4.837 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.874 2.317 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.226 3.745 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.206 3.623 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.329 2.303 2.772 1.00 0.00 H new ATOM 122 N GLU A 8 -10.257 1.969 6.399 1.00 0.00 N ATOM 123 CA GLU A 8 -9.573 1.309 7.541 1.00 0.00 C ATOM 124 C GLU A 8 -8.139 1.861 7.761 1.00 0.00 C ATOM 125 O GLU A 8 -7.723 2.087 8.912 1.00 0.00 O ATOM 126 CB GLU A 8 -9.538 -0.247 7.357 1.00 0.00 C ATOM 127 CG GLU A 8 -10.886 -0.985 7.549 1.00 0.00 C ATOM 128 CD GLU A 8 -11.885 -0.839 6.381 1.00 0.00 C ATOM 129 OE1 GLU A 8 -12.567 0.203 6.282 1.00 0.00 O ATOM 130 OE2 GLU A 8 -12.027 -1.792 5.581 1.00 0.00 O ATOM 0 H GLU A 8 -10.433 1.344 5.612 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.155 1.540 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.166 -0.466 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.817 -0.660 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.683 -2.045 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.358 -0.615 8.459 1.00 0.00 H new ATOM 137 N ILE A 9 -7.380 2.023 6.667 1.00 0.00 N ATOM 138 CA ILE A 9 -6.005 2.578 6.740 1.00 0.00 C ATOM 139 C ILE A 9 -6.028 4.060 7.180 1.00 0.00 C ATOM 140 O ILE A 9 -5.155 4.500 7.928 1.00 0.00 O ATOM 141 CB ILE A 9 -5.222 2.417 5.381 1.00 0.00 C ATOM 142 CG1 ILE A 9 -5.211 0.918 4.919 1.00 0.00 C ATOM 143 CG2 ILE A 9 -3.769 2.970 5.490 1.00 0.00 C ATOM 144 CD1 ILE A 9 -4.492 -0.057 5.858 1.00 0.00 C ATOM 0 H ILE A 9 -7.685 1.782 5.724 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.471 1.998 7.493 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.745 3.006 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.242 0.586 4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.741 0.862 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.259 2.843 4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.801 4.029 5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.230 2.426 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.543 -1.064 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.448 0.240 5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.972 -0.041 6.836 1.00 0.00 H new ATOM 156 N LYS A 10 -7.045 4.802 6.717 1.00 0.00 N ATOM 157 CA LYS A 10 -7.301 6.198 7.151 1.00 0.00 C ATOM 158 C LYS A 10 -7.543 6.256 8.677 1.00 0.00 C ATOM 159 O LYS A 10 -7.039 7.137 9.364 1.00 0.00 O ATOM 160 CB LYS A 10 -8.538 6.750 6.396 1.00 0.00 C ATOM 161 CG LYS A 10 -8.986 8.179 6.801 1.00 0.00 C ATOM 162 CD LYS A 10 -10.366 8.561 6.207 1.00 0.00 C ATOM 163 CE LYS A 10 -11.501 7.632 6.694 1.00 0.00 C ATOM 164 NZ LYS A 10 -12.768 7.870 5.967 1.00 0.00 N ATOM 0 H LYS A 10 -7.717 4.458 6.031 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.428 6.809 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.322 6.745 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.373 6.068 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.031 8.248 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.239 8.899 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.602 9.590 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.312 8.523 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.199 6.593 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.662 7.786 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.501 7.225 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.072 8.854 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.623 7.698 4.952 1.00 0.00 H new ATOM 178 N ARG A 11 -8.388 5.327 9.137 1.00 0.00 N ATOM 179 CA ARG A 11 -8.713 5.115 10.561 1.00 0.00 C ATOM 180 C ARG A 11 -7.450 4.973 11.453 1.00 0.00 C ATOM 181 O ARG A 11 -7.281 5.740 12.413 1.00 0.00 O ATOM 182 CB ARG A 11 -9.621 3.871 10.680 1.00 0.00 C ATOM 183 CG ARG A 11 -10.056 3.474 12.104 1.00 0.00 C ATOM 184 CD ARG A 11 -10.928 2.203 12.097 1.00 0.00 C ATOM 185 NE ARG A 11 -12.087 2.341 11.186 1.00 0.00 N ATOM 186 CZ ARG A 11 -12.643 1.362 10.465 1.00 0.00 C ATOM 187 NH1 ARG A 11 -12.196 0.118 10.530 1.00 0.00 N ATOM 188 NH2 ARG A 11 -13.665 1.646 9.679 1.00 0.00 N ATOM 0 H ARG A 11 -8.880 4.683 8.518 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.236 5.998 10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.518 4.044 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.100 3.024 10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.173 3.307 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.612 4.295 12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.324 1.349 11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.281 1.998 13.108 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.500 3.270 11.100 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.411 -0.111 11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.637 -0.612 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.019 2.601 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.100 0.910 9.122 1.00 0.00 H new ATOM 202 N LEU A 12 -6.579 3.987 11.140 1.00 0.00 N ATOM 203 CA LEU A 12 -5.350 3.732 11.942 1.00 0.00 C ATOM 204 C LEU A 12 -4.322 4.882 11.807 1.00 0.00 C ATOM 205 O LEU A 12 -3.595 5.183 12.761 1.00 0.00 O ATOM 206 CB LEU A 12 -4.743 2.334 11.593 1.00 0.00 C ATOM 207 CG LEU A 12 -4.325 2.065 10.099 1.00 0.00 C ATOM 208 CD1 LEU A 12 -2.864 2.480 9.793 1.00 0.00 C ATOM 209 CD2 LEU A 12 -4.579 0.595 9.689 1.00 0.00 C ATOM 0 H LEU A 12 -6.698 3.358 10.346 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.632 3.707 12.995 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.863 2.186 12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.469 1.573 11.879 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.966 2.704 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.637 2.269 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.741 3.546 9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.184 1.917 10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.278 0.449 8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.999 -0.067 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.639 0.366 9.795 1.00 0.00 H new ATOM 221 N SER A 13 -4.232 5.462 10.595 1.00 0.00 N ATOM 222 CA SER A 13 -3.472 6.707 10.344 1.00 0.00 C ATOM 223 C SER A 13 -3.880 7.822 11.323 1.00 0.00 C ATOM 224 O SER A 13 -3.025 8.408 11.968 1.00 0.00 O ATOM 225 CB SER A 13 -3.673 7.172 8.885 1.00 0.00 C ATOM 226 OG SER A 13 -2.912 8.331 8.590 1.00 0.00 O ATOM 0 H SER A 13 -4.682 5.083 9.762 1.00 0.00 H new ATOM 0 HA SER A 13 -2.416 6.493 10.505 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.389 6.368 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.729 7.377 8.712 1.00 0.00 H new ATOM 0 HG SER A 13 -3.064 8.594 7.658 1.00 0.00 H new ATOM 232 N ASP A 14 -5.197 8.104 11.377 1.00 0.00 N ATOM 233 CA ASP A 14 -5.811 9.086 12.313 1.00 0.00 C ATOM 234 C ASP A 14 -5.468 8.768 13.794 1.00 0.00 C ATOM 235 O ASP A 14 -5.265 9.673 14.605 1.00 0.00 O ATOM 236 CB ASP A 14 -7.357 9.066 12.112 1.00 0.00 C ATOM 237 CG ASP A 14 -8.125 10.035 13.034 1.00 0.00 C ATOM 238 OD1 ASP A 14 -8.327 11.208 12.652 1.00 0.00 O ATOM 239 OD2 ASP A 14 -8.550 9.626 14.141 1.00 0.00 O ATOM 0 H ASP A 14 -5.879 7.654 10.767 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.407 10.074 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.581 9.315 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.722 8.053 12.283 1.00 0.00 H new ATOM 244 N ARG A 15 -5.471 7.462 14.094 1.00 0.00 N ATOM 245 CA ARG A 15 -5.153 6.942 15.450 1.00 0.00 C ATOM 246 C ARG A 15 -3.748 7.413 15.890 1.00 0.00 C ATOM 247 O ARG A 15 -3.585 8.104 16.910 1.00 0.00 O ATOM 248 CB ARG A 15 -5.240 5.391 15.500 1.00 0.00 C ATOM 249 CG ARG A 15 -5.345 4.813 16.928 1.00 0.00 C ATOM 250 CD ARG A 15 -6.684 5.189 17.591 1.00 0.00 C ATOM 251 NE ARG A 15 -7.844 4.687 16.814 1.00 0.00 N ATOM 252 CZ ARG A 15 -8.833 5.446 16.306 1.00 0.00 C ATOM 253 NH1 ARG A 15 -8.891 6.744 16.534 1.00 0.00 N ATOM 254 NH2 ARG A 15 -9.770 4.891 15.570 1.00 0.00 N ATOM 0 H ARG A 15 -5.691 6.733 13.415 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.895 7.341 16.141 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.107 5.067 14.924 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.359 4.972 15.014 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.248 3.728 16.891 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.520 5.186 17.535 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.718 4.779 18.600 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.751 6.273 17.685 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.897 3.681 16.651 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.176 7.194 17.106 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.650 7.298 16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.746 3.888 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.521 5.463 15.184 1.00 0.00 H new ATOM 268 N LEU A 16 -2.761 7.073 15.050 1.00 0.00 N ATOM 269 CA LEU A 16 -1.351 7.411 15.309 1.00 0.00 C ATOM 270 C LEU A 16 -1.142 8.942 15.213 1.00 0.00 C ATOM 271 O LEU A 16 -0.395 9.504 16.004 1.00 0.00 O ATOM 272 CB LEU A 16 -0.425 6.618 14.322 1.00 0.00 C ATOM 273 CG LEU A 16 1.098 6.456 14.710 1.00 0.00 C ATOM 274 CD1 LEU A 16 1.918 7.754 14.509 1.00 0.00 C ATOM 275 CD2 LEU A 16 1.260 5.907 16.152 1.00 0.00 C ATOM 0 H LEU A 16 -2.912 6.562 14.181 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.080 7.114 16.322 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.846 5.621 14.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.473 7.109 13.350 1.00 0.00 H new ATOM 0 HG LEU A 16 1.510 5.722 14.017 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.955 7.577 14.793 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.875 8.053 13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.502 8.547 15.130 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.320 5.808 16.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.795 6.595 16.858 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.779 4.932 16.226 1.00 0.00 H new ATOM 287 N ASP A 17 -1.797 9.590 14.228 1.00 0.00 N ATOM 288 CA ASP A 17 -1.746 11.056 14.011 1.00 0.00 C ATOM 289 C ASP A 17 -2.174 11.838 15.265 1.00 0.00 C ATOM 290 O ASP A 17 -1.437 12.696 15.745 1.00 0.00 O ATOM 291 CB ASP A 17 -2.663 11.420 12.810 1.00 0.00 C ATOM 292 CG ASP A 17 -2.678 12.920 12.462 1.00 0.00 C ATOM 293 OD1 ASP A 17 -1.751 13.384 11.764 1.00 0.00 O ATOM 294 OD2 ASP A 17 -3.610 13.640 12.888 1.00 0.00 O ATOM 0 H ASP A 17 -2.385 9.106 13.550 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.715 11.337 13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.337 10.858 11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.681 11.100 13.034 1.00 0.00 H new ATOM 299 N ALA A 18 -3.389 11.565 15.760 1.00 0.00 N ATOM 300 CA ALA A 18 -3.896 12.096 17.032 1.00 0.00 C ATOM 301 C ALA A 18 -2.975 11.765 18.218 1.00 0.00 C ATOM 302 O ALA A 18 -2.874 12.569 19.128 1.00 0.00 O ATOM 303 CB ALA A 18 -5.321 11.601 17.288 1.00 0.00 C ATOM 0 H ALA A 18 -4.056 10.960 15.281 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.912 13.182 16.944 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.682 12.004 18.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.973 11.934 16.480 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.325 10.512 17.332 1.00 0.00 H new ATOM 309 N ILE A 19 -2.281 10.599 18.170 1.00 0.00 N ATOM 310 CA ILE A 19 -1.334 10.227 19.250 1.00 0.00 C ATOM 311 C ILE A 19 -0.082 11.124 19.204 1.00 0.00 C ATOM 312 O ILE A 19 0.336 11.636 20.247 1.00 0.00 O ATOM 313 CB ILE A 19 -0.940 8.690 19.266 1.00 0.00 C ATOM 314 CG1 ILE A 19 -2.151 7.841 19.769 1.00 0.00 C ATOM 315 CG2 ILE A 19 0.335 8.405 20.124 1.00 0.00 C ATOM 316 CD1 ILE A 19 -1.861 6.364 19.978 1.00 0.00 C ATOM 0 H ILE A 19 -2.356 9.917 17.415 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.864 10.397 20.187 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.693 8.402 18.244 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.504 8.263 20.710 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.965 7.937 19.051 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.559 7.339 20.100 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.179 8.962 19.718 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.157 8.715 21.154 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.763 5.862 20.327 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.540 5.919 19.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.072 6.250 20.721 1.00 0.00 H new ATOM 328 N ARG A 20 0.526 11.317 18.020 1.00 0.00 N ATOM 329 CA ARG A 20 1.735 12.128 17.852 1.00 0.00 C ATOM 330 C ARG A 20 1.462 13.637 18.000 1.00 0.00 C ATOM 331 O ARG A 20 2.370 14.368 18.377 1.00 0.00 O ATOM 332 CB ARG A 20 2.416 11.837 16.481 1.00 0.00 C ATOM 333 CG ARG A 20 1.647 12.360 15.229 1.00 0.00 C ATOM 334 CD ARG A 20 2.562 13.024 14.177 1.00 0.00 C ATOM 335 NE ARG A 20 3.411 14.089 14.771 1.00 0.00 N ATOM 336 CZ ARG A 20 3.016 15.339 15.083 1.00 0.00 C ATOM 337 NH1 ARG A 20 1.767 15.729 14.908 1.00 0.00 N ATOM 338 NH2 ARG A 20 3.885 16.186 15.613 1.00 0.00 N ATOM 0 H ARG A 20 0.186 10.909 17.149 1.00 0.00 H new ATOM 0 HA ARG A 20 2.413 11.841 18.655 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.411 12.281 16.487 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.548 10.760 16.381 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.117 11.529 14.765 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.894 13.079 15.550 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.198 12.266 13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.950 13.449 13.381 1.00 0.00 H new ATOM 0 HE ARG A 20 4.385 13.851 14.960 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.078 15.079 14.529 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.491 16.680 15.151 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.846 15.891 15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.593 17.134 15.852 1.00 0.00 H new ATOM 352 N HIS A 21 0.237 14.125 17.690 1.00 0.00 N ATOM 353 CA HIS A 21 -0.192 15.515 17.974 1.00 0.00 C ATOM 354 C HIS A 21 -0.409 15.724 19.467 1.00 0.00 C ATOM 355 O HIS A 21 -0.061 16.750 20.021 1.00 0.00 O ATOM 356 CB HIS A 21 -1.512 15.803 17.221 1.00 0.00 C ATOM 357 CG HIS A 21 -2.017 17.218 17.370 1.00 0.00 C ATOM 358 ND1 HIS A 21 -3.094 17.557 18.158 1.00 0.00 N ATOM 359 CD2 HIS A 21 -1.579 18.377 16.828 1.00 0.00 C ATOM 360 CE1 HIS A 21 -3.291 18.855 18.093 1.00 0.00 C ATOM 361 NE2 HIS A 21 -2.388 19.379 17.296 1.00 0.00 N ATOM 0 H HIS A 21 -0.483 13.564 17.235 1.00 0.00 H new ATOM 0 HA HIS A 21 0.591 16.196 17.640 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -1.366 15.592 16.162 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.279 15.116 17.580 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.745 18.492 16.151 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.067 19.400 18.609 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.303 20.369 17.064 1.00 0.00 H new ATOM 370 N GLN A 22 -1.033 14.724 20.058 1.00 0.00 N ATOM 371 CA GLN A 22 -1.199 14.628 21.517 1.00 0.00 C ATOM 372 C GLN A 22 0.181 14.679 22.209 1.00 0.00 C ATOM 373 O GLN A 22 0.330 15.327 23.237 1.00 0.00 O ATOM 374 CB GLN A 22 -2.024 13.360 21.855 1.00 0.00 C ATOM 375 CG GLN A 22 -1.738 12.665 23.179 1.00 0.00 C ATOM 376 CD GLN A 22 -2.567 11.390 23.326 1.00 0.00 C ATOM 377 OE1 GLN A 22 -2.114 10.313 22.699 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 -3.635 11.392 23.930 1.00 0.00 N flip ATOM 0 H GLN A 22 -1.446 13.944 19.547 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.760 15.480 21.902 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.079 13.632 21.839 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.870 12.636 21.055 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.677 12.421 23.243 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.960 13.343 24.003 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.953 12.239 24.401 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.205 10.547 23.961 1.00 0.00 H new ATOM 387 N GLN A 23 1.195 14.054 21.582 1.00 0.00 N ATOM 388 CA GLN A 23 2.590 14.108 22.051 1.00 0.00 C ATOM 389 C GLN A 23 3.342 15.335 21.523 1.00 0.00 C ATOM 390 O GLN A 23 4.479 15.548 21.910 1.00 0.00 O ATOM 391 CB GLN A 23 3.349 12.829 21.649 1.00 0.00 C ATOM 392 CG GLN A 23 3.133 11.647 22.596 1.00 0.00 C ATOM 393 CD GLN A 23 4.061 10.488 22.276 1.00 0.00 C ATOM 394 OE1 GLN A 23 4.347 10.236 21.123 1.00 0.00 O ATOM 395 NE2 GLN A 23 4.605 9.837 23.286 1.00 0.00 N ATOM 0 H GLN A 23 1.069 13.498 20.736 1.00 0.00 H new ATOM 0 HA GLN A 23 2.548 14.186 23.137 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.040 12.537 20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.415 13.052 21.602 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.297 11.971 23.624 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.098 11.312 22.529 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.344 10.072 24.244 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.286 9.099 23.109 1.00 0.00 H new ATOM 404 N ALA A 24 2.779 16.046 20.545 1.00 0.00 N ATOM 405 CA ALA A 24 3.246 17.407 20.213 1.00 0.00 C ATOM 406 C ALA A 24 2.886 18.382 21.347 1.00 0.00 C ATOM 407 O ALA A 24 3.751 19.116 21.827 1.00 0.00 O ATOM 408 CB ALA A 24 2.691 17.877 18.862 1.00 0.00 C ATOM 0 H ALA A 24 2.006 15.712 19.969 1.00 0.00 H new ATOM 0 HA ALA A 24 4.331 17.385 20.116 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.055 18.882 18.649 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.022 17.198 18.077 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.602 17.886 18.899 1.00 0.00 H new ATOM 414 N ASP A 25 1.599 18.388 21.763 1.00 0.00 N ATOM 415 CA ASP A 25 1.143 19.151 22.953 1.00 0.00 C ATOM 416 C ASP A 25 1.832 18.679 24.252 1.00 0.00 C ATOM 417 O ASP A 25 1.890 19.419 25.238 1.00 0.00 O ATOM 418 CB ASP A 25 -0.395 18.993 23.111 1.00 0.00 C ATOM 419 CG ASP A 25 -1.197 19.587 21.941 1.00 0.00 C ATOM 420 OD1 ASP A 25 -1.426 20.811 21.935 1.00 0.00 O ATOM 421 OD2 ASP A 25 -1.613 18.840 21.025 1.00 0.00 O ATOM 0 H ASP A 25 0.855 17.873 21.293 1.00 0.00 H new ATOM 0 HA ASP A 25 1.411 20.195 22.792 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.636 17.934 23.205 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.708 19.475 24.037 1.00 0.00 H new ATOM 426 N LEU A 26 2.318 17.429 24.238 1.00 0.00 N ATOM 427 CA LEU A 26 3.054 16.878 25.403 1.00 0.00 C ATOM 428 C LEU A 26 4.553 16.785 25.118 1.00 0.00 C ATOM 429 O LEU A 26 4.994 16.893 23.987 1.00 0.00 O ATOM 430 CB LEU A 26 2.489 15.505 25.849 1.00 0.00 C ATOM 431 CG LEU A 26 0.973 15.486 26.252 1.00 0.00 C ATOM 432 CD1 LEU A 26 0.569 14.146 26.885 1.00 0.00 C ATOM 433 CD2 LEU A 26 0.596 16.671 27.170 1.00 0.00 C ATOM 0 H LEU A 26 2.222 16.785 23.453 1.00 0.00 H new ATOM 0 HA LEU A 26 2.909 17.573 26.230 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.638 14.792 25.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.075 15.151 26.697 1.00 0.00 H new ATOM 0 HG LEU A 26 0.406 15.601 25.328 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.488 14.173 27.150 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.744 13.340 26.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.164 13.973 27.782 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.463 16.614 27.421 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.189 16.626 28.084 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.796 17.610 26.653 1.00 0.00 H new ATOM 445 N SER A 27 5.321 16.682 26.190 1.00 0.00 N ATOM 446 CA SER A 27 6.773 16.469 26.115 1.00 0.00 C ATOM 447 C SER A 27 7.221 15.575 27.280 1.00 0.00 C ATOM 448 O SER A 27 6.472 15.372 28.242 1.00 0.00 O ATOM 449 CB SER A 27 7.512 17.823 26.108 1.00 0.00 C ATOM 450 OG SER A 27 7.298 18.543 24.901 1.00 0.00 O ATOM 0 H SER A 27 4.963 16.743 27.143 1.00 0.00 H new ATOM 0 HA SER A 27 7.024 15.960 25.184 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.175 18.424 26.953 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.580 17.653 26.244 1.00 0.00 H new ATOM 0 HG SER A 27 6.621 18.083 24.361 1.00 0.00 H new ATOM 456 N LEU A 28 8.442 15.035 27.169 1.00 0.00 N ATOM 457 CA LEU A 28 8.977 14.036 28.113 1.00 0.00 C ATOM 458 C LEU A 28 9.304 14.677 29.473 1.00 0.00 C ATOM 459 O LEU A 28 8.992 14.106 30.524 1.00 0.00 O ATOM 460 CB LEU A 28 10.212 13.328 27.461 1.00 0.00 C ATOM 461 CG LEU A 28 10.804 12.046 28.166 1.00 0.00 C ATOM 462 CD1 LEU A 28 11.766 12.385 29.324 1.00 0.00 C ATOM 463 CD2 LEU A 28 9.677 11.087 28.631 1.00 0.00 C ATOM 0 H LEU A 28 9.091 15.277 26.421 1.00 0.00 H new ATOM 0 HA LEU A 28 8.222 13.277 28.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.936 13.049 26.444 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.013 14.063 27.383 1.00 0.00 H new ATOM 0 HG LEU A 28 11.400 11.530 27.413 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.140 11.463 29.768 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.603 12.969 28.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.235 12.963 30.080 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.118 10.214 29.113 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.029 11.603 29.339 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.091 10.769 27.769 1.00 0.00 H new ATOM 475 N VAL A 29 9.926 15.867 29.438 1.00 0.00 N ATOM 476 CA VAL A 29 10.352 16.590 30.658 1.00 0.00 C ATOM 477 C VAL A 29 9.131 17.019 31.508 1.00 0.00 C ATOM 478 O VAL A 29 9.131 16.864 32.735 1.00 0.00 O ATOM 479 CB VAL A 29 11.250 17.841 30.301 1.00 0.00 C ATOM 480 CG1 VAL A 29 11.673 18.639 31.562 1.00 0.00 C ATOM 481 CG2 VAL A 29 12.495 17.405 29.494 1.00 0.00 C ATOM 0 H VAL A 29 10.149 16.356 28.571 1.00 0.00 H new ATOM 0 HA VAL A 29 10.954 15.902 31.252 1.00 0.00 H new ATOM 0 HB VAL A 29 10.644 18.506 29.686 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.288 19.489 31.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.784 18.998 32.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.244 17.992 32.227 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.100 18.280 29.258 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.085 16.705 30.085 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.179 16.923 28.569 1.00 0.00 H new ATOM 491 N GLU A 30 8.081 17.501 30.829 1.00 0.00 N ATOM 492 CA GLU A 30 6.866 18.017 31.504 1.00 0.00 C ATOM 493 C GLU A 30 5.935 16.867 31.954 1.00 0.00 C ATOM 494 O GLU A 30 5.310 16.949 33.014 1.00 0.00 O ATOM 495 CB GLU A 30 6.106 18.993 30.568 1.00 0.00 C ATOM 496 CG GLU A 30 5.630 18.356 29.254 1.00 0.00 C ATOM 497 CD GLU A 30 4.877 19.310 28.325 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.460 20.330 27.913 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.710 19.036 27.993 1.00 0.00 O ATOM 0 H GLU A 30 8.042 17.547 29.811 1.00 0.00 H new ATOM 0 HA GLU A 30 7.183 18.555 32.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.242 19.392 31.100 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.755 19.837 30.336 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.495 17.959 28.723 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.983 17.510 29.488 1.00 0.00 H new ATOM 506 N ALA A 31 5.852 15.802 31.140 1.00 0.00 N ATOM 507 CA ALA A 31 4.983 14.645 31.409 1.00 0.00 C ATOM 508 C ALA A 31 5.823 13.369 31.292 1.00 0.00 C ATOM 509 O ALA A 31 5.829 12.727 30.258 1.00 0.00 O ATOM 510 CB ALA A 31 3.779 14.645 30.438 1.00 0.00 C ATOM 0 H ALA A 31 6.387 15.719 30.275 1.00 0.00 H new ATOM 0 HA ALA A 31 4.573 14.698 32.418 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.143 13.784 30.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.204 15.562 30.571 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.140 14.589 29.411 1.00 0.00 H new ATOM 516 N ALA A 32 6.583 13.059 32.358 1.00 0.00 N ATOM 517 CA ALA A 32 7.508 11.908 32.390 1.00 0.00 C ATOM 518 C ALA A 32 6.781 10.597 32.074 1.00 0.00 C ATOM 519 O ALA A 32 7.142 9.891 31.129 1.00 0.00 O ATOM 520 CB ALA A 32 8.215 11.828 33.758 1.00 0.00 C ATOM 0 H ALA A 32 6.574 13.599 33.223 1.00 0.00 H new ATOM 0 HA ALA A 32 8.261 12.059 31.617 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.894 10.975 33.767 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.781 12.744 33.929 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.471 11.708 34.546 1.00 0.00 H new ATOM 526 N ASP A 33 5.747 10.305 32.874 1.00 0.00 N ATOM 527 CA ASP A 33 4.929 9.099 32.743 1.00 0.00 C ATOM 528 C ASP A 33 4.040 9.164 31.493 1.00 0.00 C ATOM 529 O ASP A 33 4.210 8.364 30.590 1.00 0.00 O ATOM 530 CB ASP A 33 4.064 8.886 34.008 1.00 0.00 C ATOM 531 CG ASP A 33 3.210 7.610 33.925 1.00 0.00 C ATOM 532 OD1 ASP A 33 3.773 6.504 34.069 1.00 0.00 O ATOM 533 OD2 ASP A 33 1.979 7.706 33.698 1.00 0.00 O ATOM 0 H ASP A 33 5.454 10.911 33.640 1.00 0.00 H new ATOM 0 HA ASP A 33 5.604 8.250 32.635 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.712 8.830 34.883 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.412 9.748 34.149 1.00 0.00 H new ATOM 538 N LYS A 34 3.090 10.127 31.480 1.00 0.00 N ATOM 539 CA LYS A 34 2.085 10.273 30.393 1.00 0.00 C ATOM 540 C LYS A 34 2.711 10.186 28.973 1.00 0.00 C ATOM 541 O LYS A 34 2.224 9.427 28.132 1.00 0.00 O ATOM 542 CB LYS A 34 1.316 11.610 30.574 1.00 0.00 C ATOM 543 CG LYS A 34 0.143 11.839 29.592 1.00 0.00 C ATOM 544 CD LYS A 34 -0.992 10.804 29.744 1.00 0.00 C ATOM 545 CE LYS A 34 -2.113 11.006 28.708 1.00 0.00 C ATOM 546 NZ LYS A 34 -2.773 12.329 28.839 1.00 0.00 N ATOM 0 H LYS A 34 2.996 10.824 32.218 1.00 0.00 H new ATOM 0 HA LYS A 34 1.393 9.434 30.472 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.929 11.652 31.592 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.023 12.433 30.468 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.263 12.838 29.749 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.522 11.805 28.570 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.581 9.800 29.639 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.412 10.874 30.748 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.699 10.907 27.705 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.858 10.218 28.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.574 12.384 28.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.119 12.450 29.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.090 13.081 28.619 1.00 0.00 H new ATOM 560 N TYR A 35 3.816 10.931 28.757 1.00 0.00 N ATOM 561 CA TYR A 35 4.524 10.951 27.457 1.00 0.00 C ATOM 562 C TYR A 35 5.189 9.587 27.190 1.00 0.00 C ATOM 563 O TYR A 35 5.198 9.128 26.055 1.00 0.00 O ATOM 564 CB TYR A 35 5.576 12.081 27.399 1.00 0.00 C ATOM 565 CG TYR A 35 6.225 12.295 26.022 1.00 0.00 C ATOM 566 CD1 TYR A 35 5.632 13.111 25.056 1.00 0.00 C ATOM 567 CD2 TYR A 35 7.438 11.688 25.691 1.00 0.00 C ATOM 568 CE1 TYR A 35 6.223 13.305 23.829 1.00 0.00 C ATOM 569 CE2 TYR A 35 8.027 11.884 24.467 1.00 0.00 C ATOM 570 CZ TYR A 35 7.416 12.695 23.538 1.00 0.00 C ATOM 571 OH TYR A 35 7.995 12.884 22.306 1.00 0.00 O ATOM 0 H TYR A 35 4.239 11.528 29.468 1.00 0.00 H new ATOM 0 HA TYR A 35 3.785 11.146 26.680 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.104 13.013 27.710 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.361 11.864 28.124 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.693 13.598 25.276 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.924 11.050 26.414 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.747 13.938 23.095 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.966 11.404 24.234 1.00 0.00 H new ATOM 0 HH TYR A 35 8.837 12.384 22.260 1.00 0.00 H new ATOM 581 N ALA A 36 5.738 8.965 28.257 1.00 0.00 N ATOM 582 CA ALA A 36 6.412 7.652 28.175 1.00 0.00 C ATOM 583 C ALA A 36 5.440 6.542 27.767 1.00 0.00 C ATOM 584 O ALA A 36 5.784 5.686 26.961 1.00 0.00 O ATOM 585 CB ALA A 36 7.077 7.292 29.505 1.00 0.00 C ATOM 0 H ALA A 36 5.726 9.359 29.198 1.00 0.00 H new ATOM 0 HA ALA A 36 7.179 7.736 27.405 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.565 6.322 29.417 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.819 8.050 29.758 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.321 7.248 30.289 1.00 0.00 H new ATOM 591 N GLU A 37 4.226 6.548 28.336 1.00 0.00 N ATOM 592 CA GLU A 37 3.164 5.595 28.020 1.00 0.00 C ATOM 593 C GLU A 37 2.680 5.783 26.594 1.00 0.00 C ATOM 594 O GLU A 37 2.455 4.832 25.904 1.00 0.00 O ATOM 595 CB GLU A 37 1.987 5.739 29.020 1.00 0.00 C ATOM 596 CG GLU A 37 2.394 5.723 30.506 1.00 0.00 C ATOM 597 CD GLU A 37 3.275 4.528 30.894 1.00 0.00 C ATOM 598 OE1 GLU A 37 2.747 3.402 31.023 1.00 0.00 O ATOM 599 OE2 GLU A 37 4.501 4.708 31.056 1.00 0.00 O ATOM 0 H GLU A 37 3.954 7.231 29.043 1.00 0.00 H new ATOM 0 HA GLU A 37 3.571 4.588 28.111 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.464 6.672 28.811 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.278 4.930 28.844 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.927 6.645 30.737 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.493 5.713 31.120 1.00 0.00 H new ATOM 606 N LEU A 38 2.434 7.034 26.234 1.00 0.00 N ATOM 607 CA LEU A 38 2.151 7.409 24.832 1.00 0.00 C ATOM 608 C LEU A 38 3.260 6.931 23.840 1.00 0.00 C ATOM 609 O LEU A 38 2.958 6.612 22.696 1.00 0.00 O ATOM 610 CB LEU A 38 1.896 8.917 24.720 1.00 0.00 C ATOM 611 CG LEU A 38 0.622 9.427 25.448 1.00 0.00 C ATOM 612 CD1 LEU A 38 0.501 10.951 25.344 1.00 0.00 C ATOM 613 CD2 LEU A 38 -0.649 8.703 24.939 1.00 0.00 C ATOM 0 H LEU A 38 2.422 7.818 26.886 1.00 0.00 H new ATOM 0 HA LEU A 38 1.243 6.885 24.535 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.761 9.446 25.120 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.822 9.180 23.665 1.00 0.00 H new ATOM 0 HG LEU A 38 0.719 9.184 26.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.400 11.281 25.862 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.374 11.417 25.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.442 11.241 24.295 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.522 9.084 25.469 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.767 8.883 23.870 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.554 7.632 25.119 1.00 0.00 H new ATOM 625 N GLU A 39 4.535 6.969 24.281 1.00 0.00 N ATOM 626 CA GLU A 39 5.682 6.338 23.557 1.00 0.00 C ATOM 627 C GLU A 39 5.536 4.798 23.452 1.00 0.00 C ATOM 628 O GLU A 39 5.977 4.206 22.483 1.00 0.00 O ATOM 629 CB GLU A 39 7.033 6.687 24.250 1.00 0.00 C ATOM 630 CG GLU A 39 7.535 8.123 24.016 1.00 0.00 C ATOM 631 CD GLU A 39 7.855 8.410 22.540 1.00 0.00 C ATOM 632 OE1 GLU A 39 8.876 7.897 22.043 1.00 0.00 O ATOM 633 OE2 GLU A 39 7.106 9.149 21.872 1.00 0.00 O ATOM 0 H GLU A 39 4.808 7.435 25.146 1.00 0.00 H new ATOM 0 HA GLU A 39 5.675 6.746 22.546 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.925 6.527 25.323 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.794 5.991 23.898 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.779 8.828 24.363 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.429 8.293 24.616 1.00 0.00 H new ATOM 640 N LYS A 40 4.965 4.188 24.491 1.00 0.00 N ATOM 641 CA LYS A 40 4.697 2.722 24.528 1.00 0.00 C ATOM 642 C LYS A 40 3.523 2.361 23.574 1.00 0.00 C ATOM 643 O LYS A 40 3.622 1.433 22.775 1.00 0.00 O ATOM 644 CB LYS A 40 4.399 2.253 25.973 1.00 0.00 C ATOM 645 CG LYS A 40 5.545 2.541 26.963 1.00 0.00 C ATOM 646 CD LYS A 40 5.196 2.175 28.422 1.00 0.00 C ATOM 647 CE LYS A 40 6.336 2.500 29.403 1.00 0.00 C ATOM 648 NZ LYS A 40 6.721 3.933 29.357 1.00 0.00 N ATOM 0 H LYS A 40 4.671 4.680 25.335 1.00 0.00 H new ATOM 0 HA LYS A 40 5.590 2.200 24.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.493 2.745 26.326 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.198 1.182 25.964 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.430 1.982 26.657 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.803 3.599 26.912 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.298 2.714 28.723 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.964 1.112 28.480 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.027 2.240 30.416 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.204 1.884 29.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.480 4.111 30.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.057 4.172 28.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.896 4.522 29.591 1.00 0.00 H new ATOM 662 N GLU A 41 2.413 3.103 23.743 1.00 0.00 N ATOM 663 CA GLU A 41 1.230 3.053 22.849 1.00 0.00 C ATOM 664 C GLU A 41 1.638 3.221 21.381 1.00 0.00 C ATOM 665 O GLU A 41 1.145 2.511 20.506 1.00 0.00 O ATOM 666 CB GLU A 41 0.199 4.158 23.223 1.00 0.00 C ATOM 667 CG GLU A 41 -0.386 4.035 24.640 1.00 0.00 C ATOM 668 CD GLU A 41 -1.061 2.682 24.900 1.00 0.00 C ATOM 669 OE1 GLU A 41 -2.142 2.428 24.329 1.00 0.00 O ATOM 670 OE2 GLU A 41 -0.525 1.868 25.687 1.00 0.00 O ATOM 0 H GLU A 41 2.306 3.764 24.512 1.00 0.00 H new ATOM 0 HA GLU A 41 0.769 2.074 22.981 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.679 5.132 23.125 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.619 4.132 22.503 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.411 4.182 25.369 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.113 4.832 24.797 1.00 0.00 H new ATOM 677 N LYS A 42 2.538 4.182 21.153 1.00 0.00 N ATOM 678 CA LYS A 42 3.114 4.434 19.830 1.00 0.00 C ATOM 679 C LYS A 42 3.923 3.202 19.391 1.00 0.00 C ATOM 680 O LYS A 42 3.599 2.603 18.401 1.00 0.00 O ATOM 681 CB LYS A 42 4.022 5.689 19.826 1.00 0.00 C ATOM 682 CG LYS A 42 4.681 5.981 18.454 1.00 0.00 C ATOM 683 CD LYS A 42 5.767 7.072 18.519 1.00 0.00 C ATOM 684 CE LYS A 42 5.201 8.441 18.880 1.00 0.00 C ATOM 685 NZ LYS A 42 6.267 9.451 19.088 1.00 0.00 N ATOM 0 H LYS A 42 2.887 4.806 21.880 1.00 0.00 H new ATOM 0 HA LYS A 42 2.298 4.619 19.132 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.431 6.554 20.126 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.804 5.562 20.574 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.122 5.062 18.068 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.910 6.287 17.746 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.519 6.788 19.255 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.272 7.134 17.555 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.534 8.777 18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.601 8.357 19.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.880 10.403 18.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.625 9.382 20.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.045 9.277 18.420 1.00 0.00 H new ATOM 699 N ALA A 43 4.953 2.843 20.189 1.00 0.00 N ATOM 700 CA ALA A 43 5.916 1.728 19.931 1.00 0.00 C ATOM 701 C ALA A 43 5.221 0.418 19.510 1.00 0.00 C ATOM 702 O ALA A 43 5.649 -0.248 18.556 1.00 0.00 O ATOM 703 CB ALA A 43 6.801 1.485 21.170 1.00 0.00 C ATOM 0 H ALA A 43 5.151 3.332 21.062 1.00 0.00 H new ATOM 0 HA ALA A 43 6.538 2.041 19.092 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.496 0.671 20.966 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.361 2.391 21.401 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.172 1.221 22.020 1.00 0.00 H new ATOM 709 N THR A 44 4.130 0.075 20.212 1.00 0.00 N ATOM 710 CA THR A 44 3.292 -1.102 19.983 1.00 0.00 C ATOM 711 C THR A 44 2.411 -0.915 18.739 1.00 0.00 C ATOM 712 O THR A 44 2.269 -1.838 17.947 1.00 0.00 O ATOM 713 CB THR A 44 2.401 -1.388 21.234 1.00 0.00 C ATOM 714 OG1 THR A 44 3.227 -1.439 22.414 1.00 0.00 O ATOM 715 CG2 THR A 44 1.615 -2.714 21.103 1.00 0.00 C ATOM 0 H THR A 44 3.796 0.641 20.992 1.00 0.00 H new ATOM 0 HA THR A 44 3.948 -1.956 19.814 1.00 0.00 H new ATOM 0 HB THR A 44 1.676 -0.578 21.310 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.465 -0.528 22.686 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.011 -2.869 21.997 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.965 -2.667 20.229 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.315 -3.542 20.990 1.00 0.00 H new ATOM 723 N LEU A 45 1.771 0.275 18.648 1.00 0.00 N ATOM 724 CA LEU A 45 1.000 0.632 17.424 1.00 0.00 C ATOM 725 C LEU A 45 1.857 0.439 16.167 1.00 0.00 C ATOM 726 O LEU A 45 1.390 -0.145 15.209 1.00 0.00 O ATOM 727 CB LEU A 45 0.392 2.072 17.432 1.00 0.00 C ATOM 728 CG LEU A 45 -1.034 2.240 18.062 1.00 0.00 C ATOM 729 CD1 LEU A 45 -1.588 3.654 17.795 1.00 0.00 C ATOM 730 CD2 LEU A 45 -2.019 1.167 17.547 1.00 0.00 C ATOM 0 H LEU A 45 1.769 0.986 19.379 1.00 0.00 H new ATOM 0 HA LEU A 45 0.152 -0.053 17.415 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.079 2.726 17.969 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.352 2.428 16.403 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.930 2.103 19.138 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.578 3.747 18.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.921 4.395 18.235 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.657 3.821 16.720 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.995 1.318 18.007 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.112 1.248 16.464 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.646 0.176 17.806 1.00 0.00 H new ATOM 742 N GLU A 46 3.104 0.929 16.195 1.00 0.00 N ATOM 743 CA GLU A 46 4.094 0.735 15.138 1.00 0.00 C ATOM 744 C GLU A 46 4.355 -0.767 14.915 1.00 0.00 C ATOM 745 O GLU A 46 3.940 -1.296 13.886 1.00 0.00 O ATOM 746 CB GLU A 46 5.405 1.486 15.475 1.00 0.00 C ATOM 747 CG GLU A 46 5.226 2.995 15.715 1.00 0.00 C ATOM 748 CD GLU A 46 6.540 3.712 16.059 1.00 0.00 C ATOM 749 OE1 GLU A 46 6.933 3.741 17.244 1.00 0.00 O ATOM 750 OE2 GLU A 46 7.191 4.249 15.139 1.00 0.00 O ATOM 0 H GLU A 46 3.456 1.484 16.975 1.00 0.00 H new ATOM 0 HA GLU A 46 3.700 1.151 14.211 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.848 1.038 16.365 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.113 1.341 14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.794 3.450 14.823 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.514 3.146 16.526 1.00 0.00 H new ATOM 757 N ALA A 47 5.105 -1.423 15.842 1.00 0.00 N ATOM 758 CA ALA A 47 5.340 -2.891 15.937 1.00 0.00 C ATOM 759 C ALA A 47 4.205 -3.748 15.327 1.00 0.00 C ATOM 760 O ALA A 47 4.473 -4.638 14.542 1.00 0.00 O ATOM 761 CB ALA A 47 5.552 -3.272 17.415 1.00 0.00 C ATOM 0 H ALA A 47 5.588 -0.915 16.583 1.00 0.00 H new ATOM 0 HA ALA A 47 6.229 -3.109 15.346 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.725 -4.345 17.493 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.416 -2.736 17.809 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.666 -3.004 17.990 1.00 0.00 H new ATOM 767 N GLU A 48 2.950 -3.441 15.682 1.00 0.00 N ATOM 768 CA GLU A 48 1.720 -4.009 15.104 1.00 0.00 C ATOM 769 C GLU A 48 1.607 -3.673 13.595 1.00 0.00 C ATOM 770 O GLU A 48 1.806 -4.525 12.765 1.00 0.00 O ATOM 771 CB GLU A 48 0.492 -3.437 15.879 1.00 0.00 C ATOM 772 CG GLU A 48 -0.889 -3.919 15.392 1.00 0.00 C ATOM 773 CD GLU A 48 -1.266 -5.314 15.918 1.00 0.00 C ATOM 774 OE1 GLU A 48 -1.865 -5.396 17.011 1.00 0.00 O ATOM 775 OE2 GLU A 48 -0.972 -6.329 15.254 1.00 0.00 O ATOM 0 H GLU A 48 2.753 -2.758 16.414 1.00 0.00 H new ATOM 0 HA GLU A 48 1.748 -5.095 15.199 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.597 -3.698 16.932 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.520 -2.349 15.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.648 -3.202 15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.897 -3.935 14.302 1.00 0.00 H new ATOM 782 N ILE A 49 1.366 -2.380 13.324 1.00 0.00 N ATOM 783 CA ILE A 49 1.097 -1.882 11.937 1.00 0.00 C ATOM 784 C ILE A 49 2.294 -2.112 10.972 1.00 0.00 C ATOM 785 O ILE A 49 2.123 -2.024 9.761 1.00 0.00 O ATOM 786 CB ILE A 49 0.644 -0.368 11.859 1.00 0.00 C ATOM 787 CG1 ILE A 49 1.837 0.599 12.164 1.00 0.00 C ATOM 788 CG2 ILE A 49 -0.576 -0.094 12.787 1.00 0.00 C ATOM 789 CD1 ILE A 49 1.500 2.075 12.111 1.00 0.00 C ATOM 0 H ILE A 49 1.349 -1.650 14.036 1.00 0.00 H new ATOM 0 HA ILE A 49 0.252 -2.489 11.611 1.00 0.00 H new ATOM 0 HB ILE A 49 0.322 -0.169 10.837 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.228 0.367 13.155 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.637 0.399 11.451 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.863 0.955 12.711 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.413 -0.722 12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.307 -0.323 13.818 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.392 2.660 12.336 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.141 2.331 11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.725 2.298 12.844 1.00 0.00 H new ATOM 801 N ALA A 50 3.466 -2.533 11.478 1.00 0.00 N ATOM 802 CA ALA A 50 4.715 -2.667 10.716 1.00 0.00 C ATOM 803 C ALA A 50 5.046 -4.163 10.578 1.00 0.00 C ATOM 804 O ALA A 50 5.685 -4.572 9.630 1.00 0.00 O ATOM 805 CB ALA A 50 5.846 -1.906 11.420 1.00 0.00 C ATOM 0 H ALA A 50 3.571 -2.797 12.458 1.00 0.00 H new ATOM 0 HA ALA A 50 4.601 -2.236 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.767 -2.012 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.584 -0.851 11.494 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.992 -2.314 12.420 1.00 0.00 H new ATOM 811 N ARG A 51 4.645 -4.941 11.602 1.00 0.00 N ATOM 812 CA ARG A 51 4.532 -6.420 11.524 1.00 0.00 C ATOM 813 C ARG A 51 3.526 -6.763 10.403 1.00 0.00 C ATOM 814 O ARG A 51 3.781 -7.585 9.538 1.00 0.00 O ATOM 815 CB ARG A 51 4.100 -7.068 12.864 1.00 0.00 C ATOM 816 CG ARG A 51 4.185 -8.608 12.896 1.00 0.00 C ATOM 817 CD ARG A 51 5.625 -9.117 12.703 1.00 0.00 C ATOM 818 NE ARG A 51 5.691 -10.593 12.623 1.00 0.00 N ATOM 819 CZ ARG A 51 6.718 -11.295 12.119 1.00 0.00 C ATOM 820 NH1 ARG A 51 7.804 -10.691 11.643 1.00 0.00 N ATOM 821 NH2 ARG A 51 6.641 -12.616 12.083 1.00 0.00 N ATOM 0 H ARG A 51 4.388 -4.564 12.514 1.00 0.00 H new ATOM 0 HA ARG A 51 5.517 -6.830 11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.724 -6.667 13.663 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.074 -6.770 13.081 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.798 -8.971 13.848 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.548 -9.021 12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.041 -8.687 11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.244 -8.772 13.531 1.00 0.00 H new ATOM 0 HE ARG A 51 4.893 -11.119 12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.869 -9.673 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.572 -11.246 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.808 -13.088 12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.414 -13.162 11.703 1.00 0.00 H new ATOM 835 N LEU A 52 2.405 -6.049 10.465 1.00 0.00 N ATOM 836 CA LEU A 52 1.346 -6.056 9.447 1.00 0.00 C ATOM 837 C LEU A 52 1.909 -5.654 8.076 1.00 0.00 C ATOM 838 O LEU A 52 1.621 -6.317 7.077 1.00 0.00 O ATOM 839 CB LEU A 52 0.152 -5.137 9.873 1.00 0.00 C ATOM 840 CG LEU A 52 -0.996 -5.820 10.690 1.00 0.00 C ATOM 841 CD1 LEU A 52 -1.765 -6.838 9.826 1.00 0.00 C ATOM 842 CD2 LEU A 52 -0.469 -6.488 11.978 1.00 0.00 C ATOM 0 H LEU A 52 2.198 -5.429 11.248 1.00 0.00 H new ATOM 0 HA LEU A 52 0.959 -7.071 9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.550 -4.313 10.466 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.282 -4.702 8.973 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.687 -5.031 10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.556 -7.296 10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.204 -6.329 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.080 -7.611 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.298 -6.949 12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.265 -7.251 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.001 -5.736 12.613 1.00 0.00 H new ATOM 854 N ARG A 53 2.721 -4.577 8.014 1.00 0.00 N ATOM 855 CA ARG A 53 3.330 -4.092 6.756 1.00 0.00 C ATOM 856 C ARG A 53 4.719 -4.709 6.434 1.00 0.00 C ATOM 857 O ARG A 53 5.328 -4.293 5.461 1.00 0.00 O ATOM 858 CB ARG A 53 3.420 -2.544 6.781 1.00 0.00 C ATOM 859 CG ARG A 53 2.058 -1.822 6.647 1.00 0.00 C ATOM 860 CD ARG A 53 2.187 -0.303 6.818 1.00 0.00 C ATOM 861 NE ARG A 53 3.170 0.286 5.885 1.00 0.00 N ATOM 862 CZ ARG A 53 3.623 1.549 5.941 1.00 0.00 C ATOM 863 NH1 ARG A 53 3.187 2.385 6.870 1.00 0.00 N ATOM 864 NH2 ARG A 53 4.521 1.965 5.064 1.00 0.00 N ATOM 0 H ARG A 53 2.972 -4.021 8.831 1.00 0.00 H new ATOM 0 HA ARG A 53 2.672 -4.425 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.891 -2.235 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.072 -2.217 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.628 -2.040 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.367 -2.212 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.214 0.162 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.483 -0.079 7.843 1.00 0.00 H new ATOM 0 HE ARG A 53 3.532 -0.312 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.499 2.073 7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.539 3.342 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.868 1.327 4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.867 2.924 5.104 1.00 0.00 H new ATOM 878 N GLU A 54 5.234 -5.670 7.232 1.00 0.00 N ATOM 879 CA GLU A 54 6.428 -6.492 6.835 1.00 0.00 C ATOM 880 C GLU A 54 5.935 -7.857 6.330 1.00 0.00 C ATOM 881 O GLU A 54 6.529 -8.477 5.464 1.00 0.00 O ATOM 882 CB GLU A 54 7.465 -6.654 7.985 1.00 0.00 C ATOM 883 CG GLU A 54 7.043 -7.584 9.132 1.00 0.00 C ATOM 884 CD GLU A 54 8.062 -7.626 10.277 1.00 0.00 C ATOM 885 OE1 GLU A 54 8.998 -8.450 10.228 1.00 0.00 O ATOM 886 OE2 GLU A 54 7.932 -6.833 11.230 1.00 0.00 O ATOM 0 H GLU A 54 4.855 -5.904 8.149 1.00 0.00 H new ATOM 0 HA GLU A 54 6.958 -5.967 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.396 -7.029 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.678 -5.669 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.080 -7.256 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.902 -8.592 8.742 1.00 0.00 H new ATOM 893 N VAL A 55 4.803 -8.262 6.896 1.00 0.00 N ATOM 894 CA VAL A 55 4.001 -9.355 6.325 1.00 0.00 C ATOM 895 C VAL A 55 3.474 -8.853 4.957 1.00 0.00 C ATOM 896 O VAL A 55 3.399 -9.596 3.997 1.00 0.00 O ATOM 897 CB VAL A 55 2.853 -9.851 7.292 1.00 0.00 C ATOM 898 CG1 VAL A 55 1.877 -10.817 6.581 1.00 0.00 C ATOM 899 CG2 VAL A 55 3.469 -10.543 8.538 1.00 0.00 C ATOM 0 H VAL A 55 4.415 -7.856 7.747 1.00 0.00 H new ATOM 0 HA VAL A 55 4.616 -10.244 6.187 1.00 0.00 H new ATOM 0 HB VAL A 55 2.284 -8.975 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.104 -11.134 7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.414 -10.309 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.424 -11.690 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.670 -10.881 9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.065 -11.399 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.105 -9.835 9.070 1.00 0.00 H new ATOM 909 N HIS A 56 3.135 -7.551 4.907 1.00 0.00 N ATOM 910 CA HIS A 56 2.936 -6.856 3.605 1.00 0.00 C ATOM 911 C HIS A 56 4.218 -6.095 3.114 1.00 0.00 C ATOM 912 O HIS A 56 4.111 -4.978 2.587 1.00 0.00 O ATOM 913 CB HIS A 56 1.727 -5.876 3.726 1.00 0.00 C ATOM 914 CG HIS A 56 0.374 -6.522 3.946 1.00 0.00 C ATOM 915 ND1 HIS A 56 -0.808 -5.948 3.515 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.011 -7.669 4.581 1.00 0.00 C ATOM 917 CE1 HIS A 56 -1.824 -6.708 3.875 1.00 0.00 C ATOM 918 NE2 HIS A 56 -1.354 -7.755 4.521 1.00 0.00 N ATOM 0 H HIS A 56 2.994 -6.963 5.729 1.00 0.00 H new ATOM 0 HA HIS A 56 2.729 -7.617 2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.920 -5.191 4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.678 -5.275 2.818 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.677 -8.381 5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.866 -6.506 3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.917 -8.509 4.914 1.00 0.00 H new ATOM 927 N SER A 57 5.424 -6.706 3.252 1.00 0.00 N ATOM 928 CA SER A 57 6.685 -6.181 2.627 1.00 0.00 C ATOM 929 C SER A 57 7.493 -7.356 2.075 1.00 0.00 C ATOM 930 O SER A 57 7.792 -7.412 0.873 1.00 0.00 O ATOM 931 CB SER A 57 7.554 -5.363 3.612 1.00 0.00 C ATOM 932 OG SER A 57 8.718 -4.839 2.982 1.00 0.00 O ATOM 0 H SER A 57 5.558 -7.563 3.789 1.00 0.00 H new ATOM 0 HA SER A 57 6.395 -5.500 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.964 -4.544 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.848 -5.996 4.449 1.00 0.00 H new ATOM 0 HG SER A 57 9.241 -4.327 3.634 1.00 0.00 H new ATOM 938 N GLN A 58 7.848 -8.287 2.981 1.00 0.00 N ATOM 939 CA GLN A 58 8.421 -9.603 2.623 1.00 0.00 C ATOM 940 C GLN A 58 7.468 -10.306 1.642 1.00 0.00 C ATOM 941 O GLN A 58 7.885 -10.888 0.640 1.00 0.00 O ATOM 942 CB GLN A 58 8.582 -10.479 3.895 1.00 0.00 C ATOM 943 CG GLN A 58 9.306 -9.807 5.085 1.00 0.00 C ATOM 944 CD GLN A 58 9.111 -10.577 6.396 1.00 0.00 C ATOM 945 OE1 GLN A 58 9.005 -11.803 6.401 1.00 0.00 O ATOM 946 NE2 GLN A 58 9.019 -9.870 7.506 1.00 0.00 N ATOM 0 H GLN A 58 7.746 -8.149 3.986 1.00 0.00 H new ATOM 0 HA GLN A 58 9.400 -9.460 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.592 -10.792 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.128 -11.383 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.371 -9.734 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.934 -8.789 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.111 -8.855 7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.856 -10.339 8.397 1.00 0.00 H new ATOM 955 N LYS A 59 6.165 -10.216 1.969 1.00 0.00 N ATOM 956 CA LYS A 59 5.070 -10.738 1.142 1.00 0.00 C ATOM 957 C LYS A 59 4.255 -9.533 0.606 1.00 0.00 C ATOM 958 O LYS A 59 3.020 -9.590 0.580 1.00 0.00 O ATOM 959 CB LYS A 59 4.179 -11.721 1.980 1.00 0.00 C ATOM 960 CG LYS A 59 4.930 -12.574 3.037 1.00 0.00 C ATOM 961 CD LYS A 59 5.976 -13.534 2.435 1.00 0.00 C ATOM 962 CE LYS A 59 5.345 -14.596 1.530 1.00 0.00 C ATOM 963 NZ LYS A 59 6.353 -15.515 0.951 1.00 0.00 N ATOM 0 H LYS A 59 5.843 -9.771 2.829 1.00 0.00 H new ATOM 0 HA LYS A 59 5.460 -11.307 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.409 -11.141 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.668 -12.395 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.426 -11.907 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.203 -13.154 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.704 -12.960 1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.520 -14.025 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.618 -15.172 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.799 -14.105 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.878 -16.215 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.033 -14.971 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.857 -16.005 1.718 1.00 0.00 H new ATOM 977 N LEU A 60 5.013 -8.492 0.126 1.00 0.00 N ATOM 978 CA LEU A 60 4.539 -7.109 -0.255 1.00 0.00 C ATOM 979 C LEU A 60 3.008 -6.983 -0.401 1.00 0.00 C ATOM 980 O LEU A 60 2.334 -6.375 0.433 1.00 0.00 O ATOM 981 CB LEU A 60 5.284 -6.629 -1.558 1.00 0.00 C ATOM 982 CG LEU A 60 5.355 -5.072 -1.859 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.381 -4.773 -2.984 1.00 0.00 C ATOM 984 CD2 LEU A 60 3.980 -4.445 -2.231 1.00 0.00 C ATOM 0 H LEU A 60 6.018 -8.596 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 60 4.794 -6.452 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.306 -7.005 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.804 -7.110 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 60 5.676 -4.608 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.412 -3.700 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.369 -5.116 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.084 -5.293 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.106 -3.379 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.588 -4.931 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.281 -4.585 -1.406 1.00 0.00 H new ATOM 996 N SER A 61 2.490 -7.570 -1.468 1.00 0.00 N ATOM 997 CA SER A 61 1.060 -7.579 -1.781 1.00 0.00 C ATOM 998 C SER A 61 0.830 -8.703 -2.778 1.00 0.00 C ATOM 999 O SER A 61 1.776 -9.086 -3.459 1.00 0.00 O ATOM 1000 CB SER A 61 0.613 -6.216 -2.360 1.00 0.00 C ATOM 1001 OG SER A 61 -0.793 -6.152 -2.492 1.00 0.00 O ATOM 0 H SER A 61 3.057 -8.064 -2.157 1.00 0.00 H new ATOM 0 HA SER A 61 0.468 -7.742 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.957 -5.412 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.080 -6.061 -3.333 1.00 0.00 H new ATOM 0 HG SER A 61 -1.048 -5.280 -2.858 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.413 -9.215 -2.867 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.749 -10.402 -3.685 1.00 0.00 C ATOM 1009 C LYS A 62 -0.201 -10.282 -5.125 1.00 0.00 C ATOM 1010 O LYS A 62 0.695 -11.051 -5.525 1.00 0.00 O ATOM 1011 CB LYS A 62 -2.289 -10.618 -3.695 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.897 -10.876 -2.297 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.449 -11.008 -2.296 1.00 0.00 C ATOM 1014 CE LYS A 62 -5.203 -9.680 -2.560 1.00 0.00 C ATOM 1015 NZ LYS A 62 -5.067 -9.196 -3.958 1.00 0.00 N ATOM 0 H LYS A 62 -1.214 -8.819 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.270 -11.270 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.766 -9.740 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.523 -11.463 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.465 -11.789 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.611 -10.061 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.740 -11.734 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.767 -11.407 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.260 -9.819 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.828 -8.915 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.986 -8.843 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.367 -8.427 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.752 -9.978 -4.567 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.784 -9.345 -5.899 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.394 -8.959 -7.265 1.00 0.00 C ATOM 1031 C GLU A 63 1.116 -8.840 -7.426 1.00 0.00 C ATOM 1032 O GLU A 63 1.687 -9.494 -8.281 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.035 -7.591 -7.641 1.00 0.00 C ATOM 1034 CG GLU A 63 -2.542 -7.630 -7.926 1.00 0.00 C ATOM 1035 CD GLU A 63 -3.431 -8.030 -6.715 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.241 -7.477 -5.611 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -4.306 -8.912 -6.856 1.00 0.00 O ATOM 0 H GLU A 63 -1.585 -8.808 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.752 -9.749 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.854 -6.888 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.525 -7.199 -8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.855 -6.647 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.724 -8.333 -8.739 1.00 0.00 H new ATOM 1044 N ALA A 64 1.731 -8.001 -6.576 1.00 0.00 N ATOM 1045 CA ALA A 64 3.155 -7.655 -6.678 1.00 0.00 C ATOM 1046 C ALA A 64 4.040 -8.916 -6.544 1.00 0.00 C ATOM 1047 O ALA A 64 4.936 -9.131 -7.343 1.00 0.00 O ATOM 1048 CB ALA A 64 3.525 -6.611 -5.608 1.00 0.00 C ATOM 0 H ALA A 64 1.253 -7.544 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 64 3.336 -7.223 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.583 -6.362 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.927 -5.711 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.327 -7.020 -4.617 1.00 0.00 H new ATOM 1054 N GLN A 65 3.801 -9.640 -5.433 1.00 0.00 N ATOM 1055 CA GLN A 65 4.405 -10.988 -5.195 1.00 0.00 C ATOM 1056 C GLN A 65 4.393 -11.856 -6.487 1.00 0.00 C ATOM 1057 O GLN A 65 5.444 -12.374 -6.905 1.00 0.00 O ATOM 1058 CB GLN A 65 3.647 -11.737 -4.056 1.00 0.00 C ATOM 1059 CG GLN A 65 4.004 -11.277 -2.632 1.00 0.00 C ATOM 1060 CD GLN A 65 5.423 -11.678 -2.222 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.636 -12.758 -1.668 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.400 -10.822 -2.480 1.00 0.00 N ATOM 0 H GLN A 65 3.194 -9.322 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 65 5.441 -10.830 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.575 -11.608 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.855 -12.804 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.904 -10.193 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.291 -11.705 -1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.193 -9.935 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.359 -11.049 -2.219 1.00 0.00 H new ATOM 1071 N LYS A 66 3.218 -11.987 -7.152 1.00 0.00 N ATOM 1072 CA LYS A 66 3.052 -12.668 -8.448 1.00 0.00 C ATOM 1073 C LYS A 66 3.912 -12.039 -9.567 1.00 0.00 C ATOM 1074 O LYS A 66 4.578 -12.769 -10.312 1.00 0.00 O ATOM 1075 CB LYS A 66 1.553 -12.670 -8.852 1.00 0.00 C ATOM 1076 CG LYS A 66 1.253 -13.300 -10.231 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.241 -13.251 -10.595 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.541 -13.884 -11.969 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.922 -13.599 -12.422 1.00 0.00 N ATOM 0 H LYS A 66 2.342 -11.611 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 66 3.402 -13.693 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.987 -13.208 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.190 -11.642 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.826 -12.778 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.589 -14.337 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.815 -13.770 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.576 -12.214 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.168 -13.505 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.394 -14.962 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.082 -14.043 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.600 -13.983 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.056 -12.571 -12.503 1.00 0.00 H new ATOM 1093 N LEU A 67 3.839 -10.696 -9.716 1.00 0.00 N ATOM 1094 CA LEU A 67 4.660 -9.930 -10.676 1.00 0.00 C ATOM 1095 C LEU A 67 6.154 -10.302 -10.575 1.00 0.00 C ATOM 1096 O LEU A 67 6.789 -10.595 -11.585 1.00 0.00 O ATOM 1097 CB LEU A 67 4.452 -8.387 -10.493 1.00 0.00 C ATOM 1098 CG LEU A 67 2.994 -7.845 -10.709 1.00 0.00 C ATOM 1099 CD1 LEU A 67 2.922 -6.302 -10.549 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.436 -8.278 -12.079 1.00 0.00 C ATOM 0 H LEU A 67 3.205 -10.113 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 67 4.323 -10.200 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.770 -8.117 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.115 -7.869 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 67 2.370 -8.286 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.897 -5.967 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.244 -6.025 -9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.574 -5.829 -11.283 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.425 -7.888 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.073 -7.886 -12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.414 -9.366 -12.135 1.00 0.00 H new ATOM 1112 N MET A 68 6.722 -10.253 -9.360 1.00 0.00 N ATOM 1113 CA MET A 68 8.055 -10.753 -8.979 1.00 0.00 C ATOM 1114 C MET A 68 8.342 -12.181 -9.481 1.00 0.00 C ATOM 1115 O MET A 68 9.432 -12.431 -10.006 1.00 0.00 O ATOM 1116 CB MET A 68 8.244 -10.669 -7.440 1.00 0.00 C ATOM 1117 CG MET A 68 8.134 -9.247 -6.883 1.00 0.00 C ATOM 1118 SD MET A 68 8.332 -9.149 -5.091 1.00 0.00 S ATOM 1119 CE MET A 68 8.230 -7.373 -4.835 1.00 0.00 C ATOM 0 H MET A 68 6.233 -9.837 -8.567 1.00 0.00 H new ATOM 0 HA MET A 68 8.779 -10.105 -9.473 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.497 -11.298 -6.956 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.221 -11.077 -7.180 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.890 -8.621 -7.357 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.162 -8.834 -7.155 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.335 -7.152 -3.773 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.028 -6.879 -5.389 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.265 -7.009 -5.187 1.00 0.00 H new ATOM 1129 N LYS A 69 7.395 -13.130 -9.307 1.00 0.00 N ATOM 1130 CA LYS A 69 7.572 -14.530 -9.787 1.00 0.00 C ATOM 1131 C LYS A 69 6.885 -14.788 -11.157 1.00 0.00 C ATOM 1132 O LYS A 69 6.449 -15.914 -11.434 1.00 0.00 O ATOM 1133 CB LYS A 69 7.049 -15.520 -8.701 1.00 0.00 C ATOM 1134 CG LYS A 69 5.546 -15.387 -8.376 1.00 0.00 C ATOM 1135 CD LYS A 69 5.076 -16.344 -7.259 1.00 0.00 C ATOM 1136 CE LYS A 69 3.591 -16.148 -6.913 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.132 -17.072 -5.839 1.00 0.00 N ATOM 0 H LYS A 69 6.504 -12.959 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 69 8.637 -14.695 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.246 -16.539 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.620 -15.367 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.335 -14.360 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.967 -15.582 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.241 -17.375 -7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.680 -16.182 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.427 -15.118 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.988 -16.307 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.125 -16.902 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.262 -18.056 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.687 -16.904 -4.976 1.00 0.00 H new ATOM 1151 N MET A 70 6.817 -13.756 -12.026 1.00 0.00 N ATOM 1152 CA MET A 70 6.317 -13.926 -13.412 1.00 0.00 C ATOM 1153 C MET A 70 7.370 -14.656 -14.257 1.00 0.00 C ATOM 1154 O MET A 70 8.560 -14.406 -14.080 1.00 0.00 O ATOM 1155 CB MET A 70 5.950 -12.565 -14.070 1.00 0.00 C ATOM 1156 CG MET A 70 4.559 -12.040 -13.699 1.00 0.00 C ATOM 1157 SD MET A 70 3.234 -13.114 -14.285 1.00 0.00 S ATOM 1158 CE MET A 70 1.812 -12.025 -14.178 1.00 0.00 C ATOM 0 H MET A 70 7.099 -12.803 -11.797 1.00 0.00 H new ATOM 0 HA MET A 70 5.405 -14.521 -13.367 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.694 -11.823 -13.782 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.009 -12.671 -15.153 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.489 -11.941 -12.616 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.427 -11.043 -14.120 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.934 -12.533 -14.576 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.636 -11.758 -13.136 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.002 -11.121 -14.757 1.00 0.00 H new ATOM 1168 N PRO A 71 6.959 -15.611 -15.143 1.00 0.00 N ATOM 1169 CA PRO A 71 7.886 -16.242 -16.095 1.00 0.00 C ATOM 1170 C PRO A 71 8.370 -15.245 -17.177 1.00 0.00 C ATOM 1171 O PRO A 71 9.559 -14.916 -17.228 1.00 0.00 O ATOM 1172 CB PRO A 71 7.058 -17.421 -16.688 1.00 0.00 C ATOM 1173 CG PRO A 71 5.627 -17.031 -16.488 1.00 0.00 C ATOM 1174 CD PRO A 71 5.593 -16.194 -15.229 1.00 0.00 C ATOM 0 HA PRO A 71 8.808 -16.585 -15.626 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.283 -17.568 -17.744 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.286 -18.358 -16.180 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.254 -16.466 -17.342 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.993 -17.912 -16.388 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.831 -15.417 -15.288 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.363 -16.801 -14.353 1.00 0.00 H new ATOM 1182 N PHE A 72 7.437 -14.762 -18.021 1.00 0.00 N ATOM 1183 CA PHE A 72 7.753 -13.943 -19.203 1.00 0.00 C ATOM 1184 C PHE A 72 7.617 -12.479 -18.748 1.00 0.00 C ATOM 1185 O PHE A 72 6.524 -12.096 -18.356 1.00 0.00 O ATOM 1186 CB PHE A 72 6.739 -14.247 -20.343 1.00 0.00 C ATOM 1187 CG PHE A 72 6.786 -15.678 -20.881 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.629 -16.018 -21.937 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.970 -16.676 -20.352 1.00 0.00 C ATOM 1190 CE1 PHE A 72 7.661 -17.307 -22.439 1.00 0.00 C ATOM 1191 CE2 PHE A 72 5.998 -17.960 -20.856 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.839 -18.277 -21.902 1.00 0.00 C ATOM 0 H PHE A 72 6.439 -14.931 -17.899 1.00 0.00 H new ATOM 0 HA PHE A 72 8.752 -14.152 -19.586 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.732 -14.044 -19.978 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.924 -13.558 -21.167 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.268 -15.263 -22.371 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.305 -16.441 -19.534 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.329 -17.554 -23.251 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.359 -18.719 -20.430 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.854 -19.281 -22.300 1.00 0.00 H new ATOM 1202 N GLN A 73 8.685 -11.646 -18.741 1.00 0.00 N ATOM 1203 CA GLN A 73 8.607 -10.272 -18.179 1.00 0.00 C ATOM 1204 C GLN A 73 9.706 -9.379 -18.797 1.00 0.00 C ATOM 1205 O GLN A 73 10.623 -9.887 -19.453 1.00 0.00 O ATOM 1206 CB GLN A 73 8.732 -10.259 -16.616 1.00 0.00 C ATOM 1207 CG GLN A 73 10.152 -10.525 -16.051 1.00 0.00 C ATOM 1208 CD GLN A 73 10.632 -11.961 -16.253 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.331 -12.817 -15.296 1.00 0.00 O flip ATOM 1210 NE2 GLN A 73 11.258 -12.298 -17.264 1.00 0.00 N flip ATOM 0 H GLN A 73 9.601 -11.895 -19.113 1.00 0.00 H new ATOM 0 HA GLN A 73 7.623 -9.878 -18.434 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.392 -9.290 -16.251 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.053 -11.009 -16.210 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.857 -9.845 -16.528 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.159 -10.295 -14.986 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.473 -11.608 -17.984 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.559 -13.266 -17.378 1.00 0.00 H new ATOM 1219 N ARG A 74 9.599 -8.065 -18.530 1.00 0.00 N ATOM 1220 CA ARG A 74 10.623 -7.055 -18.926 1.00 0.00 C ATOM 1221 C ARG A 74 10.230 -5.653 -18.462 1.00 0.00 C ATOM 1222 O ARG A 74 9.310 -5.487 -17.686 1.00 0.00 O ATOM 1223 CB ARG A 74 10.859 -7.034 -20.475 1.00 0.00 C ATOM 1224 CG ARG A 74 9.695 -6.446 -21.318 1.00 0.00 C ATOM 1225 CD ARG A 74 10.073 -6.271 -22.793 1.00 0.00 C ATOM 1226 NE ARG A 74 8.988 -5.670 -23.595 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.297 -6.295 -24.563 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.522 -7.571 -24.857 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.396 -5.628 -25.247 1.00 0.00 N ATOM 0 H ARG A 74 8.803 -7.663 -18.034 1.00 0.00 H new ATOM 0 HA ARG A 74 11.550 -7.352 -18.436 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.761 -6.458 -20.680 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.049 -8.054 -20.810 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.828 -7.102 -21.243 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.401 -5.481 -20.904 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.961 -5.643 -22.864 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.335 -7.242 -23.214 1.00 0.00 H new ATOM 0 HE ARG A 74 8.743 -4.700 -23.398 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.231 -8.095 -24.344 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.986 -8.026 -25.596 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.226 -4.644 -25.042 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.867 -6.094 -25.984 1.00 0.00 H new ATOM 1243 N ALA A 75 10.967 -4.649 -18.944 1.00 0.00 N ATOM 1244 CA ALA A 75 10.562 -3.246 -18.922 1.00 0.00 C ATOM 1245 C ALA A 75 10.476 -2.824 -20.386 1.00 0.00 C ATOM 1246 O ALA A 75 11.442 -3.047 -21.131 1.00 0.00 O ATOM 1247 CB ALA A 75 11.574 -2.411 -18.135 1.00 0.00 C ATOM 0 H ALA A 75 11.882 -4.795 -19.370 1.00 0.00 H new ATOM 0 HA ALA A 75 9.605 -3.096 -18.423 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.258 -1.368 -18.128 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.632 -2.780 -17.111 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.554 -2.490 -18.605 1.00 0.00 H new ATOM 1253 N ILE A 76 9.354 -2.238 -20.844 1.00 0.00 N ATOM 1254 CA ILE A 76 8.957 -2.158 -22.244 1.00 0.00 C ATOM 1255 C ILE A 76 9.775 -1.063 -22.946 1.00 0.00 C ATOM 1256 O ILE A 76 9.873 0.054 -22.430 1.00 0.00 O ATOM 1257 CB ILE A 76 7.429 -1.768 -22.327 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.539 -2.713 -21.437 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.946 -1.736 -23.791 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.517 -4.179 -21.850 1.00 0.00 C ATOM 0 H ILE A 76 8.681 -1.794 -20.219 1.00 0.00 H new ATOM 0 HA ILE A 76 9.130 -3.121 -22.724 1.00 0.00 H new ATOM 0 HB ILE A 76 7.321 -0.761 -21.923 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.891 -2.650 -20.407 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.516 -2.336 -21.448 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.891 -1.465 -23.820 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.525 -1.000 -24.349 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.080 -2.720 -24.240 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.874 -4.739 -21.170 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.133 -4.265 -22.866 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.528 -4.584 -21.809 1.00 0.00 H new ATOM 1272 N THR A 77 10.388 -1.410 -24.079 1.00 0.00 N ATOM 1273 CA THR A 77 11.091 -0.458 -24.956 1.00 0.00 C ATOM 1274 C THR A 77 10.116 0.593 -25.562 1.00 0.00 C ATOM 1275 O THR A 77 8.945 0.290 -25.777 1.00 0.00 O ATOM 1276 CB THR A 77 11.790 -1.236 -26.117 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.814 -2.027 -26.821 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.910 -2.153 -25.599 1.00 0.00 C ATOM 0 H THR A 77 10.413 -2.370 -24.422 1.00 0.00 H new ATOM 0 HA THR A 77 11.829 0.069 -24.352 1.00 0.00 H new ATOM 0 HB THR A 77 12.239 -0.502 -26.786 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.270 -2.632 -27.443 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.370 -2.675 -26.438 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.663 -1.554 -25.088 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.492 -2.881 -24.904 1.00 0.00 H new ATOM 1286 N LYS A 78 10.638 1.820 -25.806 1.00 0.00 N ATOM 1287 CA LYS A 78 9.958 2.923 -26.570 1.00 0.00 C ATOM 1288 C LYS A 78 9.372 2.414 -27.921 1.00 0.00 C ATOM 1289 O LYS A 78 8.346 2.916 -28.420 1.00 0.00 O ATOM 1290 CB LYS A 78 11.005 4.034 -26.843 1.00 0.00 C ATOM 1291 CG LYS A 78 10.514 5.258 -27.654 1.00 0.00 C ATOM 1292 CD LYS A 78 11.677 6.203 -28.045 1.00 0.00 C ATOM 1293 CE LYS A 78 11.222 7.434 -28.847 1.00 0.00 C ATOM 1294 NZ LYS A 78 10.435 8.388 -28.029 1.00 0.00 N ATOM 0 H LYS A 78 11.565 2.088 -25.474 1.00 0.00 H new ATOM 0 HA LYS A 78 9.126 3.303 -25.977 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.384 4.389 -25.885 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.846 3.588 -27.373 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.007 4.915 -28.556 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.780 5.811 -27.067 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.185 6.536 -27.140 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.406 5.645 -28.633 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.097 7.943 -29.251 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.622 7.108 -29.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.153 9.199 -28.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.585 7.913 -27.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.014 8.722 -27.232 1.00 0.00 H new ATOM 1308 N LYS A 79 10.092 1.416 -28.461 1.00 0.00 N ATOM 1309 CA LYS A 79 9.718 0.642 -29.656 1.00 0.00 C ATOM 1310 C LYS A 79 8.266 0.150 -29.529 1.00 0.00 C ATOM 1311 O LYS A 79 7.411 0.479 -30.357 1.00 0.00 O ATOM 1312 CB LYS A 79 10.687 -0.566 -29.857 1.00 0.00 C ATOM 1313 CG LYS A 79 12.064 -0.223 -30.494 1.00 0.00 C ATOM 1314 CD LYS A 79 12.104 -0.460 -32.029 1.00 0.00 C ATOM 1315 CE LYS A 79 11.175 0.456 -32.849 1.00 0.00 C ATOM 1316 NZ LYS A 79 11.165 0.084 -34.283 1.00 0.00 N ATOM 0 H LYS A 79 10.982 1.116 -28.063 1.00 0.00 H new ATOM 0 HA LYS A 79 9.797 1.289 -30.529 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.861 -1.034 -28.888 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.191 -1.307 -30.484 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.303 0.820 -30.288 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.837 -0.827 -30.019 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.128 -0.321 -32.377 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.837 -1.498 -32.229 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.162 0.397 -32.451 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.499 1.491 -32.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.529 0.722 -34.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.127 0.164 -34.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.831 -0.896 -34.385 1.00 0.00 H new ATOM 1330 N GLU A 80 7.996 -0.563 -28.432 1.00 0.00 N ATOM 1331 CA GLU A 80 6.701 -1.193 -28.166 1.00 0.00 C ATOM 1332 C GLU A 80 5.762 -0.225 -27.420 1.00 0.00 C ATOM 1333 O GLU A 80 4.576 -0.509 -27.280 1.00 0.00 O ATOM 1334 CB GLU A 80 6.917 -2.502 -27.367 1.00 0.00 C ATOM 1335 CG GLU A 80 7.566 -3.637 -28.175 1.00 0.00 C ATOM 1336 CD GLU A 80 6.679 -4.094 -29.357 1.00 0.00 C ATOM 1337 OE1 GLU A 80 5.761 -4.920 -29.144 1.00 0.00 O ATOM 1338 OE2 GLU A 80 6.877 -3.609 -30.501 1.00 0.00 O ATOM 0 H GLU A 80 8.681 -0.721 -27.693 1.00 0.00 H new ATOM 0 HA GLU A 80 6.221 -1.440 -29.113 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.542 -2.286 -26.500 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.954 -2.846 -26.988 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.532 -3.304 -28.555 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.758 -4.485 -27.518 1.00 0.00 H new ATOM 1345 N GLN A 81 6.310 0.918 -26.934 1.00 0.00 N ATOM 1346 CA GLN A 81 5.465 1.996 -26.391 1.00 0.00 C ATOM 1347 C GLN A 81 4.709 2.762 -27.466 1.00 0.00 C ATOM 1348 O GLN A 81 3.586 3.223 -27.210 1.00 0.00 O ATOM 1349 CB GLN A 81 6.297 2.948 -25.499 1.00 0.00 C ATOM 1350 CG GLN A 81 6.928 2.268 -24.261 1.00 0.00 C ATOM 1351 CD GLN A 81 7.782 3.211 -23.421 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.506 4.395 -23.334 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.849 2.702 -22.837 1.00 0.00 N ATOM 0 H GLN A 81 7.312 1.109 -26.909 1.00 0.00 H new ATOM 0 HA GLN A 81 4.705 1.517 -25.774 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.091 3.390 -26.101 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.658 3.765 -25.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.134 1.857 -23.638 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.542 1.430 -24.590 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.054 1.707 -22.928 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.469 3.303 -22.295 1.00 0.00 H new ATOM 1362 N ALA A 82 5.283 2.904 -28.669 1.00 0.00 N ATOM 1363 CA ALA A 82 4.566 3.492 -29.812 1.00 0.00 C ATOM 1364 C ALA A 82 3.496 2.522 -30.327 1.00 0.00 C ATOM 1365 O ALA A 82 2.429 2.934 -30.809 1.00 0.00 O ATOM 1366 CB ALA A 82 5.576 3.826 -30.926 1.00 0.00 C ATOM 0 H ALA A 82 6.241 2.620 -28.877 1.00 0.00 H new ATOM 0 HA ALA A 82 4.066 4.407 -29.495 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.050 4.262 -31.775 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.310 4.538 -30.550 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.083 2.915 -31.242 1.00 0.00 H new ATOM 1372 N ASP A 83 3.806 1.221 -30.206 1.00 0.00 N ATOM 1373 CA ASP A 83 2.941 0.122 -30.647 1.00 0.00 C ATOM 1374 C ASP A 83 2.194 -0.476 -29.443 1.00 0.00 C ATOM 1375 O ASP A 83 1.830 -1.648 -29.462 1.00 0.00 O ATOM 1376 CB ASP A 83 3.790 -0.964 -31.372 1.00 0.00 C ATOM 1377 CG ASP A 83 4.401 -0.457 -32.689 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.702 -0.482 -33.731 1.00 0.00 O ATOM 1379 OD2 ASP A 83 5.565 -0.009 -32.688 1.00 0.00 O ATOM 0 H ASP A 83 4.681 0.901 -29.791 1.00 0.00 H new ATOM 0 HA ASP A 83 2.202 0.505 -31.351 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.589 -1.297 -30.710 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.164 -1.832 -31.577 1.00 0.00 H new ATOM 1384 N MET A 84 1.860 0.391 -28.458 1.00 0.00 N ATOM 1385 CA MET A 84 1.242 -0.024 -27.171 1.00 0.00 C ATOM 1386 C MET A 84 -0.053 -0.832 -27.375 1.00 0.00 C ATOM 1387 O MET A 84 -0.324 -1.814 -26.665 1.00 0.00 O ATOM 1388 CB MET A 84 0.959 1.225 -26.283 1.00 0.00 C ATOM 1389 CG MET A 84 1.289 1.002 -24.809 1.00 0.00 C ATOM 1390 SD MET A 84 3.051 0.669 -24.626 1.00 0.00 S ATOM 1391 CE MET A 84 3.185 0.206 -22.923 1.00 0.00 C ATOM 0 H MET A 84 2.010 1.397 -28.531 1.00 0.00 H new ATOM 0 HA MET A 84 1.955 -0.677 -26.668 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.542 2.067 -26.656 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.092 1.498 -26.376 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.013 1.881 -24.227 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.708 0.166 -24.419 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.218 0.321 -22.595 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.539 0.845 -22.320 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.880 -0.834 -22.804 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.786 -0.432 -28.418 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.078 -1.016 -28.726 1.00 0.00 C ATOM 1403 C GLY A 85 -1.920 -2.423 -29.268 1.00 0.00 C ATOM 1404 O GLY A 85 -2.650 -3.311 -28.850 1.00 0.00 O ATOM 0 H GLY A 85 -0.496 0.302 -29.064 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.696 -1.035 -27.829 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.597 -0.396 -29.457 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.881 -2.675 -30.118 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.602 -4.014 -30.706 1.00 0.00 C ATOM 1410 C LYS A 86 0.307 -4.788 -29.696 1.00 0.00 C ATOM 1411 O LYS A 86 0.383 -6.014 -29.698 1.00 0.00 O ATOM 1412 CB LYS A 86 0.104 -3.794 -32.094 1.00 0.00 C ATOM 1413 CG LYS A 86 0.687 -5.042 -32.835 1.00 0.00 C ATOM 1414 CD LYS A 86 2.093 -5.472 -32.341 1.00 0.00 C ATOM 1415 CE LYS A 86 3.136 -4.350 -32.422 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.383 -4.696 -31.706 1.00 0.00 N ATOM 0 H LYS A 86 -0.219 -1.957 -30.411 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.506 -4.598 -30.876 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.614 -3.317 -32.761 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.919 -3.086 -31.944 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.001 -5.878 -32.712 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.739 -4.826 -33.902 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.018 -5.815 -31.309 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.435 -6.320 -32.935 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.364 -4.143 -33.467 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.718 -3.436 -32.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.089 -3.948 -31.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.186 -4.785 -30.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.752 -5.599 -32.068 1.00 0.00 H new ATOM 1430 N LEU A 87 0.852 -3.980 -28.757 1.00 0.00 N ATOM 1431 CA LEU A 87 1.836 -4.521 -27.806 1.00 0.00 C ATOM 1432 C LEU A 87 1.037 -5.349 -26.809 1.00 0.00 C ATOM 1433 O LEU A 87 1.344 -6.508 -26.560 1.00 0.00 O ATOM 1434 CB LEU A 87 2.628 -3.437 -27.033 1.00 0.00 C ATOM 1435 CG LEU A 87 3.304 -3.913 -25.704 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.404 -4.970 -25.957 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.817 -2.727 -24.885 1.00 0.00 C ATOM 0 H LEU A 87 0.635 -2.990 -28.643 1.00 0.00 H new ATOM 0 HA LEU A 87 2.581 -5.092 -28.360 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.401 -3.039 -27.691 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.952 -2.614 -26.801 1.00 0.00 H new ATOM 0 HG LEU A 87 2.537 -4.407 -25.108 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.845 -5.271 -25.007 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.967 -5.841 -26.446 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.177 -4.545 -26.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.281 -3.091 -23.968 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.552 -2.173 -25.468 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.984 -2.071 -24.634 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.050 -4.743 -26.301 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.752 -5.216 -25.116 1.00 0.00 C ATOM 1451 C LYS A 88 -1.818 -6.240 -25.551 1.00 0.00 C ATOM 1452 O LYS A 88 -2.163 -7.149 -24.789 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.421 -3.983 -24.437 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.452 -3.113 -23.604 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.167 -1.934 -22.908 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.227 -1.113 -22.016 1.00 0.00 C ATOM 1457 NZ LYS A 88 -0.929 0.004 -21.333 1.00 0.00 N ATOM 0 H LYS A 88 -0.462 -3.905 -26.711 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.072 -5.697 -24.413 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.878 -3.362 -25.207 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.226 -4.331 -23.790 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.034 -3.734 -22.852 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.333 -2.726 -24.253 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.604 -1.282 -23.664 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.989 -2.319 -22.305 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.224 -1.766 -21.269 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.586 -0.712 -22.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.253 0.529 -20.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.338 0.644 -22.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.688 -0.378 -20.734 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.304 -6.093 -26.814 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.461 -6.863 -27.321 1.00 0.00 C ATOM 1473 C LYS A 89 -3.027 -8.248 -27.826 1.00 0.00 C ATOM 1474 O LYS A 89 -3.807 -9.196 -27.727 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.247 -6.091 -28.427 1.00 0.00 C ATOM 1476 CG LYS A 89 -3.610 -6.091 -29.836 1.00 0.00 C ATOM 1477 CD LYS A 89 -4.308 -5.111 -30.819 1.00 0.00 C ATOM 1478 CE LYS A 89 -5.772 -5.466 -31.113 1.00 0.00 C ATOM 1479 NZ LYS A 89 -5.883 -6.729 -31.873 1.00 0.00 N ATOM 0 H LYS A 89 -1.908 -5.446 -27.496 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.141 -7.001 -26.480 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.246 -6.520 -28.502 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.368 -5.057 -28.104 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.557 -5.824 -29.752 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.651 -7.100 -30.247 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.264 -4.104 -30.405 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.753 -5.095 -31.757 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.321 -5.555 -30.175 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.236 -4.658 -31.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.882 -6.912 -32.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.338 -6.652 -32.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.508 -7.512 -31.301 1.00 0.00 H new ATOM 1493 N SER A 90 -1.817 -8.359 -28.426 1.00 0.00 N ATOM 1494 CA SER A 90 -1.209 -9.649 -28.797 1.00 0.00 C ATOM 1495 C SER A 90 -1.084 -10.559 -27.549 1.00 0.00 C ATOM 1496 O SER A 90 -1.610 -11.680 -27.522 1.00 0.00 O ATOM 1497 CB SER A 90 0.184 -9.401 -29.423 1.00 0.00 C ATOM 1498 OG SER A 90 0.093 -8.579 -30.577 1.00 0.00 O ATOM 0 H SER A 90 -1.239 -7.553 -28.664 1.00 0.00 H new ATOM 0 HA SER A 90 -1.845 -10.151 -29.527 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.836 -8.929 -28.688 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.641 -10.355 -29.688 1.00 0.00 H new ATOM 0 HG SER A 90 0.284 -7.650 -30.332 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.356 -10.045 -26.532 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.281 -10.674 -25.178 1.00 0.00 C ATOM 1506 C VAL A 91 -1.706 -10.919 -24.606 1.00 0.00 C ATOM 1507 O VAL A 91 -1.928 -11.845 -23.817 1.00 0.00 O ATOM 1508 CB VAL A 91 0.507 -9.776 -24.143 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.999 -10.599 -22.930 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.666 -9.014 -24.802 1.00 0.00 C ATOM 0 H VAL A 91 0.194 -9.190 -26.617 1.00 0.00 H new ATOM 0 HA VAL A 91 0.250 -11.617 -25.311 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.200 -9.033 -23.775 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.536 -9.947 -22.241 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.144 -11.041 -22.419 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.665 -11.391 -23.273 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.178 -8.411 -24.052 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.368 -9.725 -25.237 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.276 -8.364 -25.585 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.627 -10.020 -25.030 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.063 -9.972 -24.681 1.00 0.00 C ATOM 1522 C ARG A 92 -4.249 -9.322 -23.311 1.00 0.00 C ATOM 1523 O ARG A 92 -5.011 -8.358 -23.160 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.770 -11.352 -24.781 1.00 0.00 C ATOM 1525 CG ARG A 92 -6.310 -11.276 -24.693 1.00 0.00 C ATOM 1526 CD ARG A 92 -6.984 -12.653 -24.765 1.00 0.00 C ATOM 1527 NE ARG A 92 -6.710 -13.480 -23.566 1.00 0.00 N ATOM 1528 CZ ARG A 92 -7.630 -13.853 -22.658 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -8.891 -13.439 -22.760 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -7.278 -14.623 -21.635 1.00 0.00 N ATOM 0 H ARG A 92 -2.369 -9.264 -25.664 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.557 -9.351 -25.428 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.493 -11.823 -25.724 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.402 -11.996 -23.982 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.591 -10.788 -23.760 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.684 -10.652 -25.504 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.061 -12.522 -24.874 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.635 -13.179 -25.653 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.750 -13.790 -23.418 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.168 -12.833 -23.532 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.580 -13.728 -22.066 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.311 -14.931 -21.538 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.975 -14.906 -20.946 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.534 -9.860 -22.325 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.506 -9.316 -20.982 1.00 0.00 C ATOM 1546 C GLY A 93 -2.102 -9.348 -20.419 1.00 0.00 C ATOM 1547 O GLY A 93 -1.730 -10.298 -19.728 1.00 0.00 O ATOM 0 H GLY A 93 -2.956 -10.692 -22.443 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.875 -8.291 -20.992 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.174 -9.889 -20.339 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.278 -8.355 -20.781 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.003 -8.041 -20.128 1.00 0.00 C ATOM 1553 C LEU A 94 -0.275 -7.166 -18.888 1.00 0.00 C ATOM 1554 O LEU A 94 -1.383 -6.623 -18.742 1.00 0.00 O ATOM 1555 CB LEU A 94 0.828 -7.291 -21.227 1.00 0.00 C ATOM 1556 CG LEU A 94 2.158 -6.577 -20.855 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.188 -7.560 -20.302 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.720 -5.798 -22.077 1.00 0.00 C ATOM 0 H LEU A 94 -1.488 -7.730 -21.560 1.00 0.00 H new ATOM 0 HA LEU A 94 0.540 -8.915 -19.769 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.059 -8.016 -22.008 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.173 -6.542 -21.671 1.00 0.00 H new ATOM 0 HG LEU A 94 1.943 -5.859 -20.063 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.104 -7.025 -20.053 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.791 -8.037 -19.406 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.404 -8.321 -21.052 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.651 -5.305 -21.797 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.909 -6.492 -22.896 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.995 -5.050 -22.396 1.00 0.00 H new ATOM 1570 N VAL A 95 0.718 -6.998 -18.000 1.00 0.00 N ATOM 1571 CA VAL A 95 0.658 -6.140 -16.811 1.00 0.00 C ATOM 1572 C VAL A 95 1.754 -5.090 -17.032 1.00 0.00 C ATOM 1573 O VAL A 95 2.873 -5.464 -17.334 1.00 0.00 O ATOM 1574 CB VAL A 95 0.933 -6.892 -15.452 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.761 -5.928 -14.244 1.00 0.00 C ATOM 1576 CG2 VAL A 95 0.039 -8.148 -15.310 1.00 0.00 C ATOM 0 H VAL A 95 1.615 -7.474 -18.096 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.348 -5.732 -16.711 1.00 0.00 H new ATOM 0 HB VAL A 95 1.968 -7.234 -15.460 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.955 -6.468 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.464 -5.100 -14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.257 -5.539 -14.231 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.254 -8.642 -14.363 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.010 -7.853 -15.335 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.243 -8.834 -16.132 1.00 0.00 H new ATOM 1586 N VAL A 96 1.420 -3.798 -16.914 1.00 0.00 N ATOM 1587 CA VAL A 96 2.348 -2.674 -17.215 1.00 0.00 C ATOM 1588 C VAL A 96 2.283 -1.671 -16.058 1.00 0.00 C ATOM 1589 O VAL A 96 1.188 -1.227 -15.683 1.00 0.00 O ATOM 1590 CB VAL A 96 2.029 -1.955 -18.588 1.00 0.00 C ATOM 1591 CG1 VAL A 96 2.969 -0.743 -18.845 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.111 -2.951 -19.770 1.00 0.00 C ATOM 0 H VAL A 96 0.497 -3.491 -16.607 1.00 0.00 H new ATOM 0 HA VAL A 96 3.353 -3.084 -17.319 1.00 0.00 H new ATOM 0 HB VAL A 96 1.009 -1.577 -18.515 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.714 -0.280 -19.798 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.849 -0.014 -18.044 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.004 -1.085 -18.873 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.887 -2.430 -20.701 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.115 -3.372 -19.822 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.388 -3.753 -19.621 1.00 0.00 H new ATOM 1602 N VAL A 97 3.453 -1.303 -15.497 1.00 0.00 N ATOM 1603 CA VAL A 97 3.579 -0.502 -14.267 1.00 0.00 C ATOM 1604 C VAL A 97 4.555 0.662 -14.566 1.00 0.00 C ATOM 1605 O VAL A 97 5.693 0.418 -14.995 1.00 0.00 O ATOM 1606 CB VAL A 97 4.121 -1.369 -13.058 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.186 -0.538 -11.748 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.289 -2.669 -12.850 1.00 0.00 C ATOM 0 H VAL A 97 4.355 -1.561 -15.897 1.00 0.00 H new ATOM 0 HA VAL A 97 2.598 -0.127 -13.975 1.00 0.00 H new ATOM 0 HB VAL A 97 5.136 -1.671 -13.318 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.562 -1.164 -10.939 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.853 0.312 -11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.188 -0.179 -11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.697 -3.232 -12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.252 -2.408 -12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.335 -3.279 -13.752 1.00 0.00 H new ATOM 1618 N HIS A 98 4.107 1.906 -14.356 1.00 0.00 N ATOM 1619 CA HIS A 98 4.846 3.122 -14.746 1.00 0.00 C ATOM 1620 C HIS A 98 5.870 3.493 -13.632 1.00 0.00 C ATOM 1621 O HIS A 98 5.551 3.337 -12.456 1.00 0.00 O ATOM 1622 CB HIS A 98 3.810 4.252 -14.962 1.00 0.00 C ATOM 1623 CG HIS A 98 4.385 5.570 -15.409 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.782 6.527 -14.508 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.605 6.028 -16.663 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.223 7.533 -15.233 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.135 7.278 -16.538 1.00 0.00 N ATOM 0 H HIS A 98 3.213 2.103 -13.906 1.00 0.00 H new ATOM 0 HA HIS A 98 5.408 2.964 -15.667 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.083 3.920 -15.704 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.266 4.408 -14.030 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.400 5.504 -17.585 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.609 8.453 -14.820 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.411 7.899 -17.298 1.00 0.00 H new ATOM 1635 N PRO A 99 7.111 3.981 -13.976 1.00 0.00 N ATOM 1636 CA PRO A 99 8.170 4.254 -12.969 1.00 0.00 C ATOM 1637 C PRO A 99 7.854 5.451 -12.040 1.00 0.00 C ATOM 1638 O PRO A 99 8.024 5.357 -10.824 1.00 0.00 O ATOM 1639 CB PRO A 99 9.422 4.535 -13.840 1.00 0.00 C ATOM 1640 CG PRO A 99 8.876 5.038 -15.137 1.00 0.00 C ATOM 1641 CD PRO A 99 7.591 4.276 -15.354 1.00 0.00 C ATOM 0 HA PRO A 99 8.288 3.420 -12.278 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.073 5.273 -13.371 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.015 3.632 -13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.694 6.112 -15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.578 4.864 -15.952 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.865 4.868 -15.911 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.760 3.361 -15.922 1.00 0.00 H new ATOM 1649 N MET A 100 7.376 6.564 -12.628 1.00 0.00 N ATOM 1650 CA MET A 100 7.235 7.840 -11.884 1.00 0.00 C ATOM 1651 C MET A 100 5.958 7.873 -11.034 1.00 0.00 C ATOM 1652 O MET A 100 5.778 8.785 -10.227 1.00 0.00 O ATOM 1653 CB MET A 100 7.299 9.056 -12.837 1.00 0.00 C ATOM 1654 CG MET A 100 8.559 9.093 -13.700 1.00 0.00 C ATOM 1655 SD MET A 100 8.714 10.606 -14.672 1.00 0.00 S ATOM 1656 CE MET A 100 7.339 10.476 -15.815 1.00 0.00 C ATOM 0 H MET A 100 7.083 6.611 -13.604 1.00 0.00 H new ATOM 0 HA MET A 100 8.080 7.903 -11.199 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.424 9.044 -13.487 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.246 9.972 -12.248 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.434 8.991 -13.058 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.555 8.236 -14.373 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.397 11.282 -16.547 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.382 9.515 -16.328 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.401 10.552 -15.266 1.00 0.00 H new ATOM 1666 N THR A 101 5.079 6.883 -11.223 1.00 0.00 N ATOM 1667 CA THR A 101 3.933 6.676 -10.315 1.00 0.00 C ATOM 1668 C THR A 101 4.422 6.165 -8.947 1.00 0.00 C ATOM 1669 O THR A 101 5.572 5.716 -8.814 1.00 0.00 O ATOM 1670 CB THR A 101 2.894 5.659 -10.887 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.510 4.373 -11.048 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.301 6.131 -12.228 1.00 0.00 C ATOM 0 H THR A 101 5.134 6.213 -11.990 1.00 0.00 H new ATOM 0 HA THR A 101 3.441 7.643 -10.209 1.00 0.00 H new ATOM 0 HB THR A 101 2.073 5.588 -10.173 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.243 4.440 -11.695 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.584 5.393 -12.588 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.798 7.088 -12.087 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.101 6.247 -12.959 1.00 0.00 H new ATOM 1680 N ALA A 102 3.518 6.213 -7.955 1.00 0.00 N ATOM 1681 CA ALA A 102 3.785 5.743 -6.589 1.00 0.00 C ATOM 1682 C ALA A 102 4.264 4.279 -6.586 1.00 0.00 C ATOM 1683 O ALA A 102 5.327 3.983 -6.038 1.00 0.00 O ATOM 1684 CB ALA A 102 2.525 5.899 -5.718 1.00 0.00 C ATOM 0 H ALA A 102 2.575 6.582 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 102 4.583 6.356 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.735 5.547 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.234 6.949 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.712 5.311 -6.145 1.00 0.00 H new ATOM 1690 N LEU A 103 3.465 3.387 -7.236 1.00 0.00 N ATOM 1691 CA LEU A 103 3.736 1.925 -7.210 1.00 0.00 C ATOM 1692 C LEU A 103 5.111 1.653 -7.874 1.00 0.00 C ATOM 1693 O LEU A 103 5.914 0.878 -7.353 1.00 0.00 O ATOM 1694 CB LEU A 103 2.628 1.089 -7.930 1.00 0.00 C ATOM 1695 CG LEU A 103 2.767 -0.470 -7.791 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.692 -0.928 -6.309 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.720 -1.206 -8.660 1.00 0.00 C ATOM 0 H LEU A 103 2.641 3.651 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 103 3.741 1.610 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.657 1.387 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.634 1.345 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 103 3.756 -0.739 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.792 -2.012 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.498 -0.462 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.733 -0.632 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.842 -2.283 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.717 -0.918 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.862 -0.937 -9.707 1.00 0.00 H new ATOM 1709 N GLY A 104 5.368 2.322 -9.028 1.00 0.00 N ATOM 1710 CA GLY A 104 6.678 2.285 -9.690 1.00 0.00 C ATOM 1711 C GLY A 104 7.883 2.787 -8.895 1.00 0.00 C ATOM 1712 O GLY A 104 8.998 2.382 -9.193 1.00 0.00 O ATOM 0 H GLY A 104 4.675 2.893 -9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.876 1.255 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.610 2.873 -10.605 1.00 0.00 H new ATOM 1716 N ARG A 105 7.709 3.640 -7.869 1.00 0.00 N ATOM 1717 CA ARG A 105 8.852 4.121 -7.056 1.00 0.00 C ATOM 1718 C ARG A 105 8.967 3.236 -5.802 1.00 0.00 C ATOM 1719 O ARG A 105 10.052 3.061 -5.238 1.00 0.00 O ATOM 1720 CB ARG A 105 8.641 5.603 -6.651 1.00 0.00 C ATOM 1721 CG ARG A 105 8.517 6.570 -7.839 1.00 0.00 C ATOM 1722 CD ARG A 105 8.489 8.045 -7.414 1.00 0.00 C ATOM 1723 NE ARG A 105 8.471 8.959 -8.572 1.00 0.00 N ATOM 1724 CZ ARG A 105 7.957 10.199 -8.571 1.00 0.00 C ATOM 1725 NH1 ARG A 105 7.293 10.667 -7.516 1.00 0.00 N ATOM 1726 NH2 ARG A 105 8.084 10.953 -9.649 1.00 0.00 N ATOM 0 H ARG A 105 6.802 4.009 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 105 9.771 4.059 -7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.740 5.677 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.476 5.919 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.354 6.410 -8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.607 6.340 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.609 8.227 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.362 8.260 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 105 8.882 8.622 -9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.168 10.081 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.909 11.612 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.569 10.591 -10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.697 11.897 -9.660 1.00 0.00 H new ATOM 1740 N GLU A 106 7.806 2.692 -5.406 1.00 0.00 N ATOM 1741 CA GLU A 106 7.649 1.793 -4.254 1.00 0.00 C ATOM 1742 C GLU A 106 8.400 0.481 -4.525 1.00 0.00 C ATOM 1743 O GLU A 106 9.287 0.095 -3.748 1.00 0.00 O ATOM 1744 CB GLU A 106 6.129 1.539 -3.934 1.00 0.00 C ATOM 1745 CG GLU A 106 5.624 2.166 -2.609 1.00 0.00 C ATOM 1746 CD GLU A 106 5.788 3.698 -2.562 1.00 0.00 C ATOM 1747 OE1 GLU A 106 4.912 4.414 -3.088 1.00 0.00 O ATOM 1748 OE2 GLU A 106 6.800 4.197 -2.008 1.00 0.00 O ATOM 0 H GLU A 106 6.927 2.871 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 106 8.081 2.264 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.530 1.932 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.956 0.463 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.572 1.915 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.167 1.723 -1.774 1.00 0.00 H new ATOM 1755 N MET A 107 8.045 -0.194 -5.639 1.00 0.00 N ATOM 1756 CA MET A 107 8.693 -1.478 -6.010 1.00 0.00 C ATOM 1757 C MET A 107 10.115 -1.174 -6.574 1.00 0.00 C ATOM 1758 O MET A 107 10.930 -2.076 -6.721 1.00 0.00 O ATOM 1759 CB MET A 107 7.853 -2.258 -7.066 1.00 0.00 C ATOM 1760 CG MET A 107 6.474 -2.755 -6.582 1.00 0.00 C ATOM 1761 SD MET A 107 5.434 -3.395 -7.924 1.00 0.00 S ATOM 1762 CE MET A 107 6.488 -4.632 -8.686 1.00 0.00 C ATOM 0 H MET A 107 7.325 0.119 -6.290 1.00 0.00 H new ATOM 0 HA MET A 107 8.764 -2.107 -5.122 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.704 -1.615 -7.933 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.432 -3.118 -7.402 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.618 -3.538 -5.838 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.953 -1.936 -6.086 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.911 -5.203 -9.413 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.321 -4.141 -9.189 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.873 -5.304 -7.919 1.00 0.00 H new ATOM 1772 N GLY A 108 10.378 0.120 -6.899 1.00 0.00 N ATOM 1773 CA GLY A 108 11.721 0.604 -7.267 1.00 0.00 C ATOM 1774 C GLY A 108 11.999 0.604 -8.766 1.00 0.00 C ATOM 1775 O GLY A 108 13.162 0.692 -9.180 1.00 0.00 O ATOM 0 H GLY A 108 9.663 0.848 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.846 1.618 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.467 -0.017 -6.771 1.00 0.00 H new ATOM 1779 N LEU A 109 10.939 0.515 -9.579 1.00 0.00 N ATOM 1780 CA LEU A 109 11.022 0.493 -11.049 1.00 0.00 C ATOM 1781 C LEU A 109 11.400 1.895 -11.584 1.00 0.00 C ATOM 1782 O LEU A 109 10.641 2.843 -11.410 1.00 0.00 O ATOM 1783 CB LEU A 109 9.651 0.038 -11.628 1.00 0.00 C ATOM 1784 CG LEU A 109 9.037 -1.253 -10.981 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.641 -1.559 -11.554 1.00 0.00 C ATOM 1786 CD2 LEU A 109 9.984 -2.467 -11.130 1.00 0.00 C ATOM 0 H LEU A 109 9.982 0.455 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 109 11.795 -0.208 -11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.939 0.855 -11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.768 -0.134 -12.698 1.00 0.00 H new ATOM 0 HG LEU A 109 8.920 -1.058 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.244 -2.459 -11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.974 -0.721 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.715 -1.714 -12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.527 -3.344 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.161 -2.662 -12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.932 -2.252 -10.637 1.00 0.00 H new ATOM 1798 N GLU A 110 12.583 2.016 -12.210 1.00 0.00 N ATOM 1799 CA GLU A 110 13.085 3.291 -12.797 1.00 0.00 C ATOM 1800 C GLU A 110 12.848 3.328 -14.333 1.00 0.00 C ATOM 1801 O GLU A 110 13.395 4.172 -15.046 1.00 0.00 O ATOM 1802 CB GLU A 110 14.588 3.449 -12.441 1.00 0.00 C ATOM 1803 CG GLU A 110 15.501 2.368 -13.054 1.00 0.00 C ATOM 1804 CD GLU A 110 16.920 2.351 -12.457 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.597 3.399 -12.477 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.366 1.295 -11.958 1.00 0.00 O ATOM 0 H GLU A 110 13.228 1.235 -12.329 1.00 0.00 H new ATOM 0 HA GLU A 110 12.533 4.132 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.928 4.429 -12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.697 3.428 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.042 1.390 -12.907 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.570 2.529 -14.130 1.00 0.00 H new ATOM 1813 N GLU A 111 11.977 2.421 -14.782 1.00 0.00 N ATOM 1814 CA GLU A 111 11.570 2.310 -16.201 1.00 0.00 C ATOM 1815 C GLU A 111 10.136 1.766 -16.270 1.00 0.00 C ATOM 1816 O GLU A 111 9.669 1.140 -15.302 1.00 0.00 O ATOM 1817 CB GLU A 111 12.557 1.370 -16.954 1.00 0.00 C ATOM 1818 CG GLU A 111 12.304 1.184 -18.466 1.00 0.00 C ATOM 1819 CD GLU A 111 12.337 2.500 -19.259 1.00 0.00 C ATOM 1820 OE1 GLU A 111 13.439 3.050 -19.461 1.00 0.00 O ATOM 1821 OE2 GLU A 111 11.262 3.012 -19.649 1.00 0.00 O ATOM 0 H GLU A 111 11.527 1.736 -14.175 1.00 0.00 H new ATOM 0 HA GLU A 111 11.598 3.290 -16.678 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.567 1.757 -16.821 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.526 0.390 -16.479 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.055 0.506 -18.871 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.334 0.707 -18.608 1.00 0.00 H new ATOM 1828 N MET A 112 9.411 2.048 -17.387 1.00 0.00 N ATOM 1829 CA MET A 112 8.096 1.455 -17.630 1.00 0.00 C ATOM 1830 C MET A 112 8.267 -0.053 -17.764 1.00 0.00 C ATOM 1831 O MET A 112 8.958 -0.524 -18.656 1.00 0.00 O ATOM 1832 CB MET A 112 7.397 2.017 -18.893 1.00 0.00 C ATOM 1833 CG MET A 112 6.141 1.212 -19.307 1.00 0.00 C ATOM 1834 SD MET A 112 4.946 2.156 -20.254 1.00 0.00 S ATOM 1835 CE MET A 112 4.321 3.256 -18.983 1.00 0.00 C ATOM 0 H MET A 112 9.726 2.681 -18.122 1.00 0.00 H new ATOM 0 HA MET A 112 7.455 1.709 -16.786 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.112 3.053 -18.711 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.106 2.022 -19.721 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.453 0.348 -19.894 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.656 0.829 -18.409 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.278 3.018 -18.776 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.909 3.132 -18.073 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.396 4.288 -19.326 1.00 0.00 H new ATOM 1845 N THR A 113 7.631 -0.766 -16.861 1.00 0.00 N ATOM 1846 CA THR A 113 7.810 -2.203 -16.706 1.00 0.00 C ATOM 1847 C THR A 113 6.601 -2.966 -17.249 1.00 0.00 C ATOM 1848 O THR A 113 5.497 -2.433 -17.271 1.00 0.00 O ATOM 1849 CB THR A 113 8.099 -2.542 -15.207 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.149 -1.687 -14.728 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.540 -3.998 -15.002 1.00 0.00 C ATOM 0 H THR A 113 6.965 -0.364 -16.202 1.00 0.00 H new ATOM 0 HA THR A 113 8.671 -2.523 -17.293 1.00 0.00 H new ATOM 0 HB THR A 113 7.169 -2.390 -14.659 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.835 -2.228 -14.285 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.727 -4.176 -13.943 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.754 -4.669 -15.350 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.453 -4.185 -15.568 1.00 0.00 H new ATOM 1859 N GLY A 114 6.837 -4.198 -17.741 1.00 0.00 N ATOM 1860 CA GLY A 114 5.751 -5.150 -17.958 1.00 0.00 C ATOM 1861 C GLY A 114 6.012 -6.523 -17.367 1.00 0.00 C ATOM 1862 O GLY A 114 7.149 -6.858 -17.026 1.00 0.00 O ATOM 0 H GLY A 114 7.763 -4.547 -17.991 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.835 -4.747 -17.526 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.579 -5.253 -19.029 1.00 0.00 H new ATOM 1866 N PHE A 115 4.964 -7.369 -17.332 1.00 0.00 N ATOM 1867 CA PHE A 115 4.977 -8.682 -16.662 1.00 0.00 C ATOM 1868 C PHE A 115 3.844 -9.528 -17.278 1.00 0.00 C ATOM 1869 O PHE A 115 2.739 -8.993 -17.476 1.00 0.00 O ATOM 1870 CB PHE A 115 4.656 -8.566 -15.146 1.00 0.00 C ATOM 1871 CG PHE A 115 5.595 -7.731 -14.289 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.799 -8.258 -13.833 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.250 -6.435 -13.910 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.626 -7.515 -13.020 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.080 -5.689 -13.102 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.270 -6.234 -12.653 1.00 0.00 C ATOM 0 H PHE A 115 4.071 -7.155 -17.776 1.00 0.00 H new ATOM 0 HA PHE A 115 5.968 -9.117 -16.789 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.653 -8.152 -15.046 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.628 -9.573 -14.730 1.00 0.00 H new ATOM 0 HD1 PHE A 115 7.088 -9.259 -14.119 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.319 -6.010 -14.254 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.556 -7.937 -12.669 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.803 -4.684 -12.820 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.921 -5.655 -12.014 1.00 0.00 H new ATOM 1886 N SER A 116 4.095 -10.824 -17.550 1.00 0.00 N ATOM 1887 CA SER A 116 2.963 -11.757 -17.768 1.00 0.00 C ATOM 1888 C SER A 116 3.363 -13.238 -17.563 1.00 0.00 C ATOM 1889 O SER A 116 4.541 -13.600 -17.358 1.00 0.00 O ATOM 1890 CB SER A 116 2.390 -11.555 -19.213 1.00 0.00 C ATOM 1891 OG SER A 116 1.161 -12.249 -19.398 1.00 0.00 O ATOM 0 H SER A 116 5.024 -11.238 -17.623 1.00 0.00 H new ATOM 0 HA SER A 116 2.202 -11.526 -17.023 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.238 -10.492 -19.398 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.118 -11.905 -19.945 1.00 0.00 H new ATOM 0 HG SER A 116 1.082 -12.530 -20.334 1.00 0.00 H new ATOM 1897 N LYS A 117 2.326 -14.085 -17.629 1.00 0.00 N ATOM 1898 CA LYS A 117 2.431 -15.545 -17.667 1.00 0.00 C ATOM 1899 C LYS A 117 2.550 -16.021 -19.129 1.00 0.00 C ATOM 1900 O LYS A 117 2.946 -17.160 -19.387 1.00 0.00 O ATOM 1901 CB LYS A 117 1.173 -16.165 -16.993 1.00 0.00 C ATOM 1902 CG LYS A 117 1.046 -15.910 -15.463 1.00 0.00 C ATOM 1903 CD LYS A 117 1.928 -16.857 -14.611 1.00 0.00 C ATOM 1904 CE LYS A 117 1.522 -18.342 -14.750 1.00 0.00 C ATOM 1905 NZ LYS A 117 2.297 -19.234 -13.845 1.00 0.00 N ATOM 0 H LYS A 117 1.360 -13.759 -17.658 1.00 0.00 H new ATOM 0 HA LYS A 117 3.321 -15.866 -17.125 1.00 0.00 H new ATOM 0 HB2 LYS A 117 0.285 -15.770 -17.486 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.181 -17.241 -17.166 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.321 -14.877 -15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.004 -16.030 -15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.970 -16.741 -14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.861 -16.564 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.459 -18.446 -14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.670 -18.660 -15.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.986 -20.218 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.310 -19.158 -14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.137 -18.950 -12.857 1.00 0.00 H new ATOM 1919 N THR A 118 2.209 -15.124 -20.076 1.00 0.00 N ATOM 1920 CA THR A 118 2.198 -15.398 -21.518 1.00 0.00 C ATOM 1921 C THR A 118 3.340 -14.614 -22.186 1.00 0.00 C ATOM 1922 O THR A 118 3.771 -13.573 -21.668 1.00 0.00 O ATOM 1923 CB THR A 118 0.822 -14.994 -22.158 1.00 0.00 C ATOM 1924 OG1 THR A 118 0.549 -13.612 -21.890 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.344 -15.852 -21.629 1.00 0.00 C ATOM 0 H THR A 118 1.928 -14.170 -19.850 1.00 0.00 H new ATOM 0 HA THR A 118 2.339 -16.467 -21.676 1.00 0.00 H new ATOM 0 HB THR A 118 0.903 -15.166 -23.231 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.309 -13.364 -22.292 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.273 -15.534 -22.102 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.159 -16.901 -21.862 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.426 -15.729 -20.549 1.00 0.00 H new ATOM 1933 N THR A 119 3.797 -15.118 -23.345 1.00 0.00 N ATOM 1934 CA THR A 119 4.953 -14.573 -24.076 1.00 0.00 C ATOM 1935 C THR A 119 4.674 -13.154 -24.637 1.00 0.00 C ATOM 1936 O THR A 119 3.518 -12.802 -24.924 1.00 0.00 O ATOM 1937 CB THR A 119 5.386 -15.536 -25.239 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.578 -15.048 -25.877 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.283 -15.726 -26.301 1.00 0.00 C ATOM 0 H THR A 119 3.370 -15.922 -23.805 1.00 0.00 H new ATOM 0 HA THR A 119 5.770 -14.492 -23.359 1.00 0.00 H new ATOM 0 HB THR A 119 5.575 -16.507 -24.780 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.837 -15.659 -26.598 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.639 -16.401 -27.079 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.395 -16.150 -25.832 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.034 -14.762 -26.744 1.00 0.00 H new ATOM 1947 N PHE A 120 5.754 -12.355 -24.746 1.00 0.00 N ATOM 1948 CA PHE A 120 5.748 -11.018 -25.370 1.00 0.00 C ATOM 1949 C PHE A 120 7.206 -10.536 -25.562 1.00 0.00 C ATOM 1950 O PHE A 120 7.542 -10.015 -26.641 1.00 0.00 O ATOM 1951 CB PHE A 120 4.925 -9.977 -24.556 1.00 0.00 C ATOM 1952 CG PHE A 120 5.415 -9.672 -23.135 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.231 -10.587 -22.103 1.00 0.00 C ATOM 1954 CD2 PHE A 120 6.052 -8.467 -22.837 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.667 -10.312 -20.828 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.491 -8.193 -21.560 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.299 -9.116 -20.555 1.00 0.00 C ATOM 1958 OXT PHE A 120 8.023 -10.731 -24.640 1.00 0.00 O ATOM 0 H PHE A 120 6.673 -12.627 -24.396 1.00 0.00 H new ATOM 0 HA PHE A 120 5.256 -11.105 -26.339 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.907 -9.043 -25.118 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.896 -10.331 -24.493 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.739 -11.527 -22.306 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.203 -7.738 -23.619 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.514 -11.033 -20.039 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.985 -7.256 -21.347 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.643 -8.903 -19.554 1.00 0.00 H new